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  • Oxford University Press  (141,517)
  • American Institute of Physics (AIP)  (119,744)
  • Public Library of Science  (118,651)
  • 2010-2014  (258,022)
  • 2000-2004  (63,547)
  • 1985-1989  (55,002)
  • 1935-1939  (3,341)
Collection
Keywords
Publisher
Years
Year
  • 1
    Unknown
    Thinking it through : an introduction to contemporary philosophy (2003)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Philosophy, Introductions.
    Notes: Mind -- Knowledge -- Language -- Science -- Morality -- Politics -- Law -- Metaphysics -- Philosophy
    Pages: xviii, 412 p.
    ISBN: 0-19-518393-2
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=120898
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    E-Book (German National Licenses)
  • 2
    Unknown
    In defense of globalization (2004)
    New York : Oxford University Press
    Details
    Keywords: Anti-globalization movement. ; Globalization, Economic aspects. ; Globalization, Social aspects.
    Notes: I. Coping with anti-globalization -- 1. Anti-globalization: why? -- 2. Globalization: socially, not just economically, benign -- 3. Globalization is good but not good enough -- 4. Non-government organizations -- II. Globalization's human face: trade and corporations -- 5. Poverty: enhanced or diminished? -- 6. Child labor: increased or reduced? -- 7. Women: harmed or helped? -- 8. Democracy at bay? -- 9. Culture imperiled or enriched? -- 10. Wages and labor standards at stake? -- 11. Environment in peril? -- 12. Corporations: predatory or beneficial? -- III. Other dimensions of globalization -- 13. The perils of Gung-Ho International Financial capitalism -- 14. International flows of humanity -- IV. Appropriate governance: making globalization work better -- 15. Appropriate governance: an overview -- 16. Coping with downsides -- 17. Accelerating the achievement of social agendas -- 18. Managing transitions: optimal, not maximal, speed -- V. In conclusion -- 19. And so, let us begin anew
    Pages: xi, 308 p.
    ISBN: 0-19-530391-1
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=129267
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  • 3
    Unknown
    Handbook of affective sciences : Affective sciences (2003)
    Oxford ; New York : Oxford University Press
    Series in affective science  
    Details
    Keywords: Affect (Psychology) ; Electronic books ; Emotions
    Pages: xvii, 1199 p.
    ISBN: 0-19-530205-2
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=129691
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  • 4
    Unknown
    Encounters with God : an approach to the theology of Jonathan Edwards (2000)
    New York : Oxford University Press
    Religion in America series  
    Details
    Keywords: Edwards, Jonathan,, 1703-1758.
    Pages: xii, 194 p.
    ISBN: 0-585-30895-0
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=23547
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  • 5
    Unknown
    Understanding truth (2000)
    New York : Oxford University Press
    Details
    Keywords: Truth.
    Pages: ix, 268 p.
    ISBN: 0-585-32455-7
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=23592
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  • 6
    Unknown
    American Lazarus : religion and the rise of African-American and native American literatures (2003)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Occom, Samson,, 1723-1792. ; African Americans in literature. ; African Americans, Intellectual life. ; American literature, African American authors, History and criticism. ; American literature, Indian authors, History and criticism. ; American literature, 1783-1850, History and criticism. ; American literature, Colonial period, ca. 1600-1775, History and criticism. ; American literature, Revolution, 1775-1783, History and criticism. ; Christian literature, American, History and criticism. ; Christianity and literature, United States, History, 18th century. ; Hymns, English, United States, History and criticism. ; Indians in literature. ; Indians of North America, Intellectual life.
    Pages: vi, 255 p.
    ISBN: 0-19-518567-6
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=92702
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  • 7
    Unknown
    Welfare as we knew it : a political history of the American welfare state (2000)
    New York : Oxford University Press
    Details
    Keywords: United States, Social policy. ; Public welfare, United States, History.
    Pages: 210 p.
    ISBN: 0-585-35667-X
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=53587
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  • 8
    Unknown
    Memory and emotion (2004)
    Oxford ; New York : Oxford University Press
    Series in affective science  
    Details
    Keywords: Autobiographical memory. ; Brain, physiology. ; Emotions. ; Emotions, physiology. ; Memory, physiology. ; Mental Disorders, psychology. ; Psychiatry. ; Psychophysiology.
    Notes: Memory for emotional events / Daniel Reisberg and Friderike Heuer -- The neuroanatomy of emotional memory in humans / Tony W. Buchanan and Ralph Adolphs -- The biopsychology of trauma and memory / Jessica D. Payne ... [et al.] -- Forgetting trauma? / Richard J. McNally, Susan A. Clancy, and Heidi M. Barrett -- Selective memory effects in anxiety disorders : an overview of research findings and their implications / Colin MacLeod and Andrew Mathews -- Memory for emotional and nonemotional events in depression : a question of habit? / Paula Hertel -- Emotion, memory, and conscious awareness in schizophrenia / Jean-Marie Danion ... [et al.] -- Children's memories of emotional events / Robyn Fivush and Jessica McDermott Sales -- Aging and emotional memory / Mara Mather -- Emotion and eyewitness memory / Robin S. Edelstein ... [et al.] -- Emotional memory in survivors of the Holocaust : a qualitative study of oral testimony / Robert N. Kraft
    Pages: xiv, 413 p.
    ISBN: 0-19-518650-8
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=121006
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  • 9
    Unknown
    The Oxford dictionary of saints (2000)
    New York : Oxford University Press
    Oxford paperback reference  
    Details
    Keywords: Christian saints, Biography, Dictionaries. ; Christian saints, Great Britain, Biography, Dictionaries. ; Christian saints, Ireland, Biography, Dictionaries. ; Saints chrétiens, Biographies, Dictionnaires anglais. ; Saints chrétiens, Grande-Bretagne, Biographies, Dictionnaires anglais. ; Saints chrétiens, Irlande, Biographies, Dictionnaires anglais.
    Pages: xxv, 547 p.
    Edition: 4th ed
    ISBN: 0-585-11034-4
    URL: http://www.netlibrary.com/urlapi.asp?action=summary&v=1&bookid=12301
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  • 10
    Unknown
    Evangelicals and science in historical perspective (2000)
    New York : Oxford University Press
    Religion in America series  
    Details
    Keywords: Evangelicalism, History. ; Religion and science, History.
    Notes: The history of science and religion : some evangelical dimensions / John Hedley Brooke -- The Puritan thesis revisited / John Morgan -- Christianity and early modern science : the Foster thesis reconsidered / Edward B. Davis -- Science, theology, and society : from Cotton Mather to William Jennings Bryan / Mark A. Noll -- Science and evangelical theology in Britain from Wesley to Orr / David W. Bebbington -- Science, natural theology, and evangelicalism in early nineteenth-century Scotland : Thomas Chalmers and the Evidence controversy / Jonathan R. Topham -- Scriptural geology in America / Rodney L. Stiling -- Situating evangelical responses to evolution / David N. Livingstone -- Telling tales : evangelicals and the Darwin legend / James Moore -- Creating creationism : meanings and uses since the age of Agassiz / Ronald L. Numbers -- A sign for an unbelieving age : evangelicals and the search for Noah's ark / Larry Eskridge -- "The science of duty" : moral philosophy and the epistemology of science in nineteenth-century America / Allen C. Guelzo -- Toward a Christian social science in Canada, 1890-1930 / Michael Gauvreau and Nancy Christie -- Evangelicals, Biblical scholarship, and the politics of the modern American academy / D.G. Hart -- The meaning of science for Christians : a new dialogue on Olympus / George Marsden
    Pages: vi, 351 p.
    ISBN: 0-585-18275-2
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=23620
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  • 11
    Unknown
    When information came of age : technologies of knowledge in the age of reason and revolution, 1700-1850 (2000)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Europe, Intellectual life, 18th century. ; Europe, Intellectual life, 19th century. ; Europe, Vie intellectuelle, 18e siècle. ; Europe, Vie intellectuelle, 19e siècle. ; Enlightenment. ; Information resources, Europe, History, 18th century. ; Information resources, Europe, History, 19th century. ; Learning and scholarship, Europe, History, 18th century. ; Learning and scholarship, Europe, History, 19th century. ; Savoir et érudition, Europe, Histoire, 18e siècle. ; Savoir et érudition, Europe, Histoire, 19e siècle. ; Siècle des lumières. ; Sources d'information, Europe, Histoire, 18e siècle. ; Sources d'information, Europe, Histoire, 19e siècle.
    Pages: viii, 246 p.
    ISBN: 0-19-518040-2
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=92690
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  • 12
    Unknown
    Studies in classical history and society (2002)
    Oxford [England] ; New York : Oxford University Press
    American classical studies  
    Details
    Keywords: Greece, History, To 146 B.C. ; Grèce, Histoire, Jusqu'à 146 av. J.-C. ; Rome, Histoire. ; Rome, History. ; Civilisation ancienne. ; Civilization, Classical.
    Pages: xi, 151 p.
    ISBN: 0-19-518490-4
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=121005
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  • 13
    Unknown
    Gendarmes and the state in nineteenth-century Europe (2000)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Police, Europe, Histoire. ; Police, Europe, History. ; Police, Europe, History, 19th century. ; Police, France, Histoire. ; Police, France, History.
    Pages: x, 288 p.
    ISBN: 0-585-48633-6
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=100298
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  • 14
    Unknown
    Englishness identified : manners and character, 1650-1850 (2000)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Angleterre, Mœurs et coutumes, 17e siècle. ; Angleterre, Mœurs et coutumes, 18e siècle. ; Angleterre, Mœurs et coutumes, 19e siècle. ; England, Social life and customs, 17th century. ; England, Social life and customs, 17th century. ; England, Social life and customs, 18th century. ; England, Social life and customs, 19th century. ; Anglais dans la littérature. ; Anglais, Histoire. ; English literature, History and criticism. ; Littérature anglaise, Histoire et critique. ; National characteristics, English, in literature. ; National characteristics, English, History.
    Notes: Energy -- Candour -- Decency -- Taciturnity -- Reserve -- Eccentricity -- Manners and character
    Pages: x, 389 p.
    ISBN: 0-585-48625-5
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=100309
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  • 15
    Unknown
    Armies without nations : public violence and state formation in Central America, 1821-1960 (2004)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Central America, Politics and government. ; Political violence, Central America, History. ; State-sponsored terrorism, Central America, History.
    Notes: Part 1 : 1821-1939. Historical dimensions of public violence in Latin America -- Binding hatreds : public violence, state, and nation in Central American history -- Guatemala : organizing for war -- El Salvador : a democracy of violence -- Honduras : caudillos in search of an army -- Nicaragua : a new army finds its caudillo -- Costa Rica : caudillos in search of a state -- Part 2 : 1940-1960. Transformations -- Defining collaboration : the United States and Central America -- Guatemala : "Showcase of Latin America" -- El Salvador : distrustful collaborator -- Honduras : remaking an "armed rabble" -- Nicaragua : "Ready to receive orders from Uncle Sam" -- Costa Rica : an army renamed -- Conclusions -- Statistical appendix -- Notes
    Pages: x, 336 p.
    ISBN: 0-19-518573-0
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=121469
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  • 16
    Unknown
    The conscious mind : in search of a fundamental theory (2000)
    New York : Oxford University Press
    Philosophy of mind series  
    Details
    Keywords: Consciousness. ; Dualism. ; Mind and body. ; Philosophy of mind.
    Pages: xvii, 414 p.
    ISBN: 0-585-35313-1
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=55770
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  • 17
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    Sight unseen : an exploration of conscious and unconscious vision (2004)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Electronic books ; Vision disorders ; Visual perception
    Pages: ix, 135 p.
    ISBN: 1-423-70567-X
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=130746
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  • 18
    Unknown
    American mobbing, 1828-1861 : toward Civil War (2000)
    New York : Oxford University Press
    Details
    Keywords: United States, History, Civil War, 1861-1865, Causes. ; United States, Race relations. ; United States, Social conditions, To 1865. ; Antislavery movements, United States, History, 19th century. ; Riots, United States, History, 19th century. ; Slavery, Government policy, United States. ; Violence, United States, History, 19th century.
    Pages: xx, 372 p.
    ISBN: 0-19-530397-0
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=120981
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  • 19
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    The changing shape of English nonconformity, 1825-1925 (2000)
    New York, N.Y : Oxford University Press
    Details
    Keywords: Dissenters, Religious, England, History, 19th century. ; Dissenters, Religious, England, History, 20th century. ; Dissidents (Religion), Angleterre, Histoire, 19e siècle. ; Dissidents (Religion), Angleterre, Histoire, 20e siècle. ; Theology, Study and teaching, England, History, 19th century. ; Theology, Study and teaching, England, History, 20th century. ; Théologie, Étude et enseignement, Angleterre, Histoire, 19e siècle. ; Théologie, Étude et enseignement, Angleterre, Histoire, 20e siècle.
    Pages: 248 p.
    ISBN: 0-585-16245-X
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=23559
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  • 20
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    Charles Dickens in cyberspace : the afterlife of the nineteenth century in postmodern culture (2003)
    New York : Oxford University Press
    Details
    Keywords: Great Britain, Civilization, 19th century. ; United States, Civilization, British influences. ; United States, Civilization, 20th century. ; Dickens, Charles,, 1812-1870, Appreciation, United States. ; Criticism, United States, History, 20th century. ; English literature, Appreciation, United States. ; English literature, 19th century, History and criticism, Theory, etc. ; Literature and science, Great Britain. ; Literature and science, United States. ; Postmodernism (Literature), United States. ; Romanticism, Great Britain.
    Pages: x, 270 p.
    ISBN: 0-19-518078-X
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=92722
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  • 21
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    The Gospel according to John : a literary and theological commentary (2000)
    New York : Oxford University Press
    Details
    Keywords: Bible., N.T., John. ; Bible., N.T., John, Commentaries.
    Pages: xiii, 625 p.
    Edition: Pbk. rpt. ed., 1997
    ISBN: 0-585-27829-6
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=23535
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  • 22
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    Minds and bodies : philosophers and their ideas (2000)
    New York, N.Y : Oxford University Press
    Philosophy of mind series  
    Details
    Keywords: Ethics, Book reviews. ; Mind and body, Book reviews. ; Philosophy of mind, Book reviews.
    Pages: viii, 264 p.
    ISBN: 0-585-16169-0
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=23637
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  • 23
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    Warranted Christian belief (2000)
    New York : Oxford University Press
    Details
    Keywords: Apologetics. ; Christianity, Philosophy. ; Faith and reason, Christianity.
    Pages: xx, 508 p.
    ISBN: 0-585-35267-4
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=55794
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  • 24
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    Mobilizing the information society : strategies for growth and opportunity (2000)
    New York, N.Y : Oxford University Press
    Details
    Keywords: Information society. ; Société informatisée.
    Pages: xxiii, 516 p.
    ISBN: 0-585-35755-2
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=56409
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  • 25
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    Social identity, intergroup conflict, and conflict reduction (2001)
    Oxford [England] ; New York, N.Y. [USA] : Oxford University Press
    Rutgers series on self and social identity  
    Details
    Keywords: Conflict management. ; Ethnic relations. ; Gestion des conflits. ; Group identity. ; Identité collective. ; Relations interethniques.
    Notes: Introduction : social identity and intergroup conflict / Lee Jussim, Richard D. Ashmore, and David Wilder / Ingroup identification and intergroup conflict : when does ingroup love become outgroup hate? / Marilynn B. Brewer -- Ethnic identity, national identity, and intergroup conflict : the significance of personal experiences / Thomas Hylland Eriksen -- The meaning of american national identity : patterns of ethnic conflict and consensus / Jack Citrin, Cara Wong, and Brian Duff -- Communal and national identity in a multiethnic state : a comparison of three perspectives / Jim Sidanius and John R. Petrocik -- Social and role identities and political violence : identity as a window on violence in northern ireland / Robert W. White -- Individual and group identities in genocide and mass killing / Ervin Staub -- The role of national identity in conflict resolution : experiences from Israeli-Palestinian problem-solving workshops / Herbert C. Kelman -- Conclusion : toward a social identity framework for intergroup conflict / Richard D. Ashmore, Lee Jussim, David Wilder, and Jessica Heppen
    Pages: xii, 270 p.
    ISBN: 0-19-530241-9
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=129724
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  • 26
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    The handbook of culture & psychology : Handbook of culture and psychology (2001)
    New York : Oxford University Press
    Details
    Keywords: Ethnopsychology. ; Personality and culture.
    Notes: Culture and psychology at a crossroad : historical perspective and theoretical analysis / John Adamopoulos and Walter J. Lonner -- Individualism and collectivism : past, present, and future / Harry C. Tirandis -- Culture, science, and indigenous psychologies : an integrated analysis / Uichol Kim -- The evolution of cross-cultural research methods / Fons van de Vijver -- Culture, context, and development / Harry W. Gardiner -- Cognition across cultures / R.C. Mishra -- Everyday cognition : where culture, psychology, and education come together / Analúcia D. Schliemann and David W. Carraher -- Culture and moral development / Joan G. Miller -- Culture and emotion / David Matsumoto -- Gender and culture / Deborah L. Best and John E. Williams -- Culture and control orientations / Susumu Yamaguchi -- Culture and human inference : perspectives from three traditions / Kaiping Peng, Daniel R. Ames, and Eric D. Knowles -- Abnormal psychology and culture / Junko Tanaka-Matsumi -- Clinical psychology and culture / Jayne Lee and Stanley Sue -- Polishing the jade : a modest proposal for improving the study of social psychology across cultures / Michael Harris Bond and James T. Tedeschi -- Culture and social cognition : toward a social psychology of cultural dynamics / Yoshihisa Kashima -- Cross-cultural studies of social influence / Peter B. Smith -- Social justice from a cultural perspective / Kwok Leung and Walter G. Stephan -- The A, B, Cs of acculturation / Colleen Ward
    Pages: xvi, 458 p.
    ISBN: 0-19-530227-3
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=129712
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  • 27
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    Thinking about feeling : contemporary philosophers on emotions (2004)
    Oxford ; New York : Oxford University Press
    Series in affective science  
    Details
    Keywords: Emotions (Philosophy)
    Notes: Emotions, physiology, and intentionality.Primitive emotions /John Deigh --Emotion : biological fact or social construction /Jenefer Robinson --Embodied emotions /Jesse Prinz --Emotion, appraisal, and cognition.Emotions : what I know, what I'd like to think I know, and what I'd like to think /Ronald de Sousa --Emotions, thoughts, and feelings : emotions as engagements with the world /Robert C. Solomon --Emotions and feelings.Emotion, feeling, and knowledge of the world /Peter Goldie --Subjectivity and emotion /Cheshire Calhoun --Emotions and rationality.Emotions, rationality, and mind/body /Patricia Greenspan --Some considerations about intellectual desire and emotions /Michael Stocker --Emotions, action, and freedom.Emotion and action /Jon Elster --Emotions and freedom /Jerome Neu --Emotion and value.Emotions as judgments of value and importance /Martha Nussbaum --Feelings that matter /Annette Baier --Perturbations of desire : emotions disarming morality in the "Great song" of The Mahabharata /Purushottama Bilimoria --On theories of emotion.Is emotion a natural kind? /Paul E. Griffiths --Emotion as a subtle mental mode /Aaron Ben-Zeev --Enough already with "Theories of emotions" /Amelie Oksenberg Rorty.
    Pages: x, 297 p.
    ISBN: 0-19-530334-2
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=129793
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  • 28
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    The foundations of mind : origins of conceptual thought (2004)
    Oxford ; New York : Oxford University Press
    Oxford series in cognitive development  
    Details
    Keywords: Cognition in infants. ; Cognition, physiology, Infant. ; Concepts in infants. ; Thinking, physiology, Infant.
    Notes: How to build a baby : prologue -- Piaget's sensorimotor infant -- Kinds of representation : seeing and thinking -- Perceptual meaning analysis and image-schemas : the infant as interpreter -- Some image-schemas and their functions -- Some differences between percepts and concepts : the case of the basic level -- Some preverbal concepts -- Conceptual categories as induction machines -- Continuity in the conceptual system : acquisition, breakdown, and reorganization -- Recall of the past -- Language acquisition -- Consciousness and conclusions
    Pages: xiii, 359 p.
    ISBN: 0-19-530396-2
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=129820
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  • 29
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    The quest for reality : subjectivism and the metaphysics of colour (2000)
    New York : Oxford University Press
    Details
    Keywords: Color (Philosophy)
    Pages: xv, 228 p.
    ISBN: 0-585-36474-5
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=55844
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  • 30
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    Twentieth century sprawl : highways and the reshaping of the American Landscape ; Highways transformed America (2004)
    New York : Oxford University Press
    Details
    Keywords: Denver (Colo.), History, 20th century. ; Middlebury (Vt. : Town), History, 20th century. ; Smyrna (Rutherford County, Tenn.), History, 20th century. ; Cities and towns, United States, Growth, History, 20th century, Case studies. ; Interstate Highway System, History, 20th century. ; Roads, Government policy, United States, History, 20th century. ; Transportation, Automotive, United States, History, 20th century.
    Notes: Highway federalism -- Denver meets the automobile -- The decentralization of post-World War II Denver -- Automobiles and a small town -- Bridges, bypasses, and boulevards -- AutoCity : Smyrna, Tennessee
    Pages: xiv, 297 p.
    ISBN: 0-19-530264-8
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=129257
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  • 31
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    A leap in the dark : the struggle to create the American republic (2003)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: United States, History, 1783-1815. ; United States, History, Colonial period, ca. 1600-1775. ; United States, History, Revolution, 1775-1783.
    Notes: Preface -- 1754-1763 : Join, or die -- 1763-1766 : Loss of respect and affection -- 1766-1770 : To crush the spirit of the colonies -- 1770-1774 : Cause of Boston now is the cause of America -- 1775-1776 : To die freemen rather than to live slaves -- 1776-1777 : Leap into the dark -- 1778-1782 : This wilderness of darkness and dangers -- 1783-1787 : Present paroxysm of our affairs -- 1787-1789 : So much unanimity and good will -- 1790-1793 : Prosperous at home, respectable abroad -- 1793-1796 : Colossus to the Antirepublican party -- 1797-1799 : Game where principles are the stake -- 1799-1801 : Gigg is up -- 1801 : Age of revolution and reformation
    Pages: xv, 558 p.
    ISBN: 0-19-518418-1
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=120918
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    Garden spot : Lancaster County, the old order Amish, and the selling of rural America (2002)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Amish Country (Pa.) ; Lancaster County (Pa.), Rural conditions. ; Rural development, Pennsylvania, Lancaster County.
    Notes: Introduction: a fertile soil -- Cultivating the garden : the invention of Lancaster County -- Pride and progress : education, literacy, and the little red schoolhouse -- Dutch country : the Amish and tourism -- Domain of abundance : food and farming -- Landscape of progress : urbanization and planning -- Preserving the garden : development and farm preservation -- Epilogue: the harvest -- Appendix : Farms and population of Lancaster County, 1900-2000
    Pages: x, 258 p.
    ISBN: 0-19-518029-1
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=92724
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    The human side of M & A : how CEOs leverage the most important asset in deal making ; Human side of M and A ; Human side of mergers and acquisitions ; Leveraging the most important factor in deal making (2004)
    New York : Oxford University Press
    Details
    Keywords: Consolidation and merger of corporations. ; Human capital. ; Organizational effectiveness.
    Pages: xi, 193 p.
    ISBN: 0-19-518406-8
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=120907
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    Thought experiments (2000)
    New York : Oxford University Press
    Details
    Keywords: Philosophy and science. ; Thought experiments.
    Pages: xii, 318 p.
    Edition: [Pbk. reprint 1998]
    ISBN: 0-585-16074-0
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=23526
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    Postmodernism : a very short introduction (2002)
    Oxford ; New York : Oxford University Press
    Very short introductions  
    Details
    Keywords: Postmodernism.
    Pages: 142 p.
    ISBN: 0-585-48631-X
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=100292
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    Organizational participation : myth and reality (2000)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Industrial relations. ; Organizational behavior. ; Organizational sociology.
    Pages: x, 294 p.
    ISBN: 0-585-36603-9
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=56038
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  • 37
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    Understanding genocide : the social psychology of the Holocaust (2002)
    New York : Oxford University Press
    Details
    Keywords: Holocaust, Jewish (1939-1945), Influence. ; Holocaust, Jewish (1939-1945), Psychological aspects. ; Holocaust, Jewish (1939-1945), Social aspects. ; Social sciences, Philosophy.
    Notes: The psychology of bystanders, perpetrators, and heroic helpers / Ervin Staub -- What is a "social-psychological" account of perpetrator behavior? The person versus the situation in Goldhagen's Hitler's willing executioners / Leonard S. Newman -- Authoritarianism and the Holocaust: some cognitive and affective implications / Peter Suedfeld and Mark Schaller -- Perpetrator behavior as destructive obedience: an evaluation of Stanley Milgram's perspective, the most influential social-psychological approach to the Holocaust / Thomas Blass -- Sacrificial lambs dressed in wolves' clothing: envious prejudice, ideology, and the scapegoating of Jews / Peter Glick -- Group processes and the Holocaust / R. Scott Tindale ... [et al.] -- Examining the implications of cultural frames on social movements and group action / Daphna Oyserman and Armand Lauffer -- Population and predators: preconditions for the Holocaust from a control-theoretical perspective / Dieter Frey and Helmut Rez -- The zoomorphism of human collective violence / R.B. Zajonc -- The Holocaust and the four roots of evil / Roy F. Baumeister -- Instigators of genocide: examining Hitler from a social-psychological perspective / David R. Mandel -- Perpetrators with a clear conscience: lying self-deception and belief change / Ralph Erber -- Explaining the Holocaust: does social psychology exonerate the perpetrators? / Arthur G. Miller, Amy M. Buddie, and Jeffrey Kretschmar -- Epilogue: Social psychologists confront the Holocaust / Leonard S. Newman and Ralph Erber
    Pages: xi, 360 p.
    ISBN: 0-19-518618-4
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=120998
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    The American dream : a short history of an idea that shaped a nation (2003)
    Oxford [England] ; New York : Oxford University Press
    Details
    Keywords: United States, Civilization, Philosophy. ; United States, Politics and government, Philosophy. ; National characteristics, American. ; Social values, United States.
    Notes: Introduction: A dream country -- Dream of the good life (I) : the Puritan enterprise -- Dream charter : The declaration of independence -- Dream of the good life (II) : upward mobility -- King of America : the dream of equality -- Detached houses : the dream of home ownership -- Dream of the good life (III) : the coast -- Conclusion: Extending the dream
    Pages: x, 214 p.
    ISBN: 0-19-530398-9
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=129263
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  • 39
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    Feminism and history : Feminism & history (2000)
    New York : Oxford University Press
    Oxford readings in feminism  
    Details
    Keywords: Feminist theory. ; Women, History.
    Notes: Does a sex have a history? /Denise Riley --The dialects of Black womanhood /Bonnie Thornton Dill --Theorizing woman:Funu, Guojia, Jiating (Chinese women, Chinese state, Chinese family) /Tani Barlow --'Women's history' in transition: the European case /Natalie Zemon Davis --The traffic in women: notes on the 'political economy' of sex /Gayle Rubin --Gender: a useful category of historical analysis /Joan Wallach Scott --African-American women's history and the metalanguge of race /Evelyn Brooks Higginbotham --Carnal knowledge.
    Pages: ix, 611 p.
    ISBN: 0-585-15703-0
    URL: http://www.netlibrary.com/urlapi.asp?action=summary&v=1&bookid=12418
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    New directions in American religious history (2000)
    New York : Oxford University Press
    Details
    Keywords: United States, Church history, Congresses. ; Christianity, United States, Congresses.
    Pages: ix, 502 p.
    ISBN: 0-585-30487-4
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=23593
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  • 41
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    At war with ourselves : why America is squandering its chance to build a better world (2004)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: United States, Foreign relations, Philosophy. ; United States, Foreign relations, 2001- ; Globalization, Political aspects. ; National characteristics, American.
    Pages: xiv, 288 p.
    Edition: [Pbk. ed.]
    ISBN: 0-19-518433-5
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=120929
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  • 42
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    Feminism and science : Feminism & science (2000)
    Oxford : Oxford University Press
    Oxford readings in feminism  
    Details
    Keywords: Feminist theory. ; Science, Philosophy. ; Science, Social aspects. ; Women in science.
    Pages: vii, 289 p.
    ISBN: 0-585-12065-X
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=12414
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  • 43
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    When flesh becomes word : an anthology of early eighteenth-century libertine literature (2004)
    New York : Oxford University Press
    Details
    Keywords: English literature, 18th century. ; Erotic literature, English. ; Libertinism, Literary collections.
    Notes: British libertine literature before Fanny Hill (1749) -- 1: The school of Venus (1680) -- 2: The pleasure of a single life (1701), The fifteen comforts of Cuckoldom (1706), and the fifteen plagues of a maiden-head (1707) -- 3: Gonosologium Novum (1709) -- 4: Venus in the cloister (1725) -- 5: A dialogue between a married lady and a maid (1740) -- 6: A new description of merryland (1741) -- 7: The female husband (1746)
    Pages: xxxiii, 332 p.
    ISBN: 0-19-518577-3
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=120996
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  • 44
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    Democracies in flux : the evolution of social capital in contemporary society (2002)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Capital social (Sociologie) ; Civil society. ; Democracy. ; Démocratie. ; Social capital (Sociology) ; Société civile.
    Notes: Introduction /Robert D. Putnam and Kristin A. Goss --Great Britain: the role of government and the distribution of social capital /Peter A. Hall --United States: bridging the privileged and the marginalized? /Robert Wuthnow --United States: from membership to advocacy /Theda Skocpol --France: old and new civic and social ties in France /Jean-Pierre Worms --Decline of social capital?: the German case /Claus Offe and Susanne Fuchs --From civil war to civil society: social capital in Spain from the 1930s to the 1990s /Victor Pérez-Díaz --Sweden: social capital in the social democratic state /Bo Rothstein --Australia: making the lucky country /Eva Cox --Broadening the basis of social capital in Japan /Takashi Inoguchi --Conclusion /Robert D. Putnam.
    Pages: 516 p.
    ISBN: 0-19-518460-2
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=120945
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    The Oxford companion to philosophy (2000)
    Oxford : Oxford University Press
    Details
    Keywords: Philosophie, Encyclopédies. ; Philosophy, Encyclopedias.
    Pages: xviii, 1009 p.
    ISBN: 0-585-18263-9
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=22941
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  • 46
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    Holy war, holy peace : how religion can bring peace to the Middle East (2002)
    New York, N.Y : Oxford University Press
    Details
    Keywords: Arab-Israeli conflict, Religious aspects. ; Arab-Israeli conflict, 1993-, Peace. ; Religion and politics, Middle East.
    Pages: viii, 269 p.
    ISBN: 0-19-518512-9
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=121463
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    There are no slaves in France : the political culture of race and slavery in the Ancien ReÌgime (2000)
    New York : Oxford University Press
    Details
    Keywords: France, Race relations, History, 18th century. ; Blacks, Legal status, laws, etc., France, History, 18th century. ; Political culture, France, History, 18th century. ; Racism, France, History, 18th century.
    Pages: x, 210 p.
    ISBN: 0-585-32788-2
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=53439
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  • 48
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    Bowing to necessities : a history of manners in America, 1620-1860 (2000)
    New York : Oxford University Press
    Details
    Keywords: Etiquette, United States, History.
    Notes: Part I -- Hierarchy: manners in a vertical social order, 1620-1740.Manners for gentlemenManners over minorsManners maketh menPart II --Revolution: an opening of possibilities, 1740-1820.Middle class risingYouth risingWomen risingPart III -- Resolution: manners for democrats, 1820-1860.Manners for the middle classManners for adultsLadies first?
    Pages: x, 310 p.
    ISBN: 0-19-530339-3
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=129794
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    The Oxford dictionary of the Jewish religion (2000)
    New York : Oxford University Press
    Details
    Keywords: Judaism, Dictionaries.
    Pages: xviii, 764 p.
    ISBN: 0-585-38345-6
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=53320
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  • 50
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    Marriage wars in late Renaissance Venice (2001)
    Oxford ; New York : Oxford University Press
    Studies in the history of sexuality  
    Details
    Keywords: Venice (Italy), Social conditions, To 1797 ; Electronic books ; Marriage, History, Italy, Venice ; Renaissance, Italy, Venice
    Pages: xi, 221 p.
    ISBN: 0-19-518018-6
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=92688
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  • 51
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    Joyce's revenge : history, politics, and aesthetics in Ulysses (2002)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Great Britain, Relations, Ireland. ; Ireland, In literature. ; Ireland, Relations, Great Britain. ; Joyce, James,, 1882-1941., Ulysses. ; Joyce, James,, 1882-1941, Aesthetics. ; Joyce, James,, 1882-1941, Political and social views. ; Literature and history, Ireland, History, 20th century. ; Politics and literature, Ireland, History, 20th century.
    Pages: xii, 306 p.
    ISBN: 0-585-48623-9
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=100300
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  • 52
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    The Oxford dictionary of philosophy : Dictionary of philosophy (2000)
    New York : Oxford University Press
    Oxford paperback reference  
    Details
    Keywords: Philosophie, Dictionnaires anglais. ; Philosophy, Dictionaries.
    Pages: ix, 418 p.
    ISBN: 0-585-11072-7
    URL: http://www.netlibrary.com/urlapi.asp?action=summary&v=1&bookid=12313
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  • 53
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    Susanna Wesley : the complete writings (2000)
    New York : Oxford University Press
    Details
    Keywords: Wesley, Susanna Annesley,, 1669-1742. ; Wesley, Susanna Annesley,, 1670-1742. ; Anglicans, England, Biography.
    Pages: xiv, 504 p.
    ISBN: 0-585-24572-X
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=23631
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  • 54
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    The crime in mind : criminal responsibility and the Victorian novel (2003)
    New York : Oxford University Press
    Details
    Keywords: Crime in literature. ; Criminal liability in literature. ; Criminals in literature. ; English fiction, 19th century, History and criticism. ; Law and literature, History, 19th century. ; Legal stories, English, History and criticism. ; Responsibility in literature.
    Notes: Organizing crime : conduct and character in Oliver Twist : prologue to George Eliot's crimes -- "To fix our minds on that consequence" : minding consequences in Adam Bede and Felix Holt -- Middlemarch, Daniel Deronda, and the crime in mind -- James Fitzjames Stephen and the responsibilities of narrative -- Modern responsibilities
    Pages: viii, 275 p.
    ISBN: 0-19-518524-2
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=121487
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    Defending Ireland : the Irish state and its enemies since 1922 (2000)
    Oxford : Oxford University Press
    Details
    Keywords: Ireland, Defenses, History, 20th century. ; Ireland, Foreign relations, 1922- ; Ireland, Military policy, History, 20th century. ; Ireland, Politics and government, 1922- ; National security, Ireland, History, 20th century.
    Pages: 382 p.
    ISBN: 0-585-48615-8
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=100313
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    Playing the races : ethnic caricature and American literary realism (2004)
    New York : Oxford University Press
    Details
    Keywords: United States, Ethnic relations, History, 19th century. ; United States, Race relations, History, 19th century. ; American fiction, 19th century, History and criticism. ; Caricatures and cartoons, United States, History, 19th century. ; Ethnicity in literature. ; Race in literature. ; Realism in literature. ; Stereotype (Psychology) in literature.
    Notes: Introduction: the age of caricature, the age of realism -- William Dean Howells and the touch of exaggeration which typifies -- "I want a real coon": Twain and ethnic caricature -- A Jamesian art to be cultivated -- Edith Wharton's flamboyant copy -- The "curious realism" of Charles Chesnutt
    Pages: viii, 196 p.
    ISBN: 0-19-518578-1
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=121496
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    The Great War and the language of modernism (2003)
    New York : Oxford University Press
    Details
    Keywords: Eliot, T. S., (Thomas Stearns),, 1888-1965, Views on war. ; Pound, Ezra,, 1885-1972, Views on war. ; Woolf, Virginia,, 1882-1941, Views on war. ; American poetry, 20th century, History and criticism. ; Americans, Great Britain, History, 20th century. ; Modernism (Literature), Great Britain. ; Modernism (Literature), United States. ; World War, 1914-1918, Great Britain, Literature and the war.
    Pages: xiii, 395 p.
    ISBN: 0-19-518055-0
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=92703
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    Consciousness lost and found : a neuropsychological exploration (2000)
    Oxford : Oxford University Press
    Details
    Keywords: Consciousness. ; Neuropsychology.
    Pages: 272 p.
    ISBN: 0-585-24486-3
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=27427
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    Social movements : identity, culture, and the state (2002)
    Oxford ; New York : Oxford University Press
    Details
    Keywords: Mouvements sociaux. ; Social movements.
    Notes: pt. I. Introduction. Opportunities and identities: bridge-building in the study of social movements / David S. Meyer -- pt. II. States and policies. State repression and democracy protest in three southeast Asian countries / Vincent Boudreau -- Mobilization on the South African gold mines / T. Dunbar Moodie -- Multiple meditations: the state and the women's movements in India / Manisha Desai -- The contradictions of gay ethnicity: forging identity in Vermont / Mary Bernstein -- Creating social change: lessons from the civil rights movement / Kenneth T. Andrews -- pt. III. Organization and strategies. The "meso" in social movement research / Suzanne Staggenborg -- Strategizing and the sense of context: reflections on the first two weeks of the Liverpool docks lockout, September-October 1995 / Colin Barker and Michael Lavalette -- Factions and the continuity of political challengers / Mildred A. Schwartz -- More than one feminism: organizational structure and the construction of collective identity / Jo Reger -- The development of individual identity and consciousness among movements of the left and right / Rebecca E. Klatch -- pt. IV. Collective identities, discourse, and culture. Toward a more dialogic analysis of social movement culture / Marc W. Steinberg -- Materialist feminist discourse analysis and social movement research: mapping the changing context for "community control" / Nancy A. Naples -- From the "beloved community" to "family values": religious language, symbolic repertoires, and democratic culture / Rhys H. Williams -- External political change, collective identities, and participation in social movement organizations / Belinda Robnett -- pt. V. Conclusion. Meaning and structure in social movements / Nancy Whittier
    Pages: xvi, 366 p.
    ISBN: 0-19-530277-X
    URL: http://www.netLibrary.com/urlapi.asp?action=summary&v=1&bookid=129231
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    Electronic Resource
    Electronic Resource
    Anisotropic intermolecular potentials. III. Rare-gas–hydrogen bromide systems (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4455-4461 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Intermolecular potentials for Ar and Kr interacting with HBr are obtained by least-squares fitting of potential parameters to data obtained from the molecular-beam microwave spectra of the Ar–HBr and Kr–HBr van der Waals complexes. The equilibrium geometry is linear Rg–H–Br in each case, but there are substantial secondary minima at the linear Rg–Br–H geometries; for Ar–HBr, the secondary minimum is only about 5 cm−1 shallower than the primary minimum. This potential feature is found to explain the anomalous H/D isotope effects in centrifugal distortion constants that have been observed for the Rg–HBr complexes. It is predicted that Ar–HBr will have a very low-energy bending state, only 11 cm−1 above the ground state, arising from the secondary minimum.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456782
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  • 61
    Electronic Resource
    Electronic Resource
    Excited rovibronic level dependence of the magnetic quenching of slow fluorescence of pyrazine vapor (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4477-4484 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Excited rotational level dependence of the external magnetic field effects both on intensity and on decay of fluorescence of pyrazine vapor has been carefully examined for the zero-point vibrational level in S1 with a field strength of 0–170 G. The magnetic quenching of the slow fluorescence becomes more effective with increasing rotational quantum number J' of the excited level, and the field strength at which the amount of fluorescence quenching becomes one-half of the total amount of quenching at the saturated fields is roughly proportional to (2J'+1)−1. The magnetic quenching is also found to depend on K' of the excited level. The rotational level dependence of the magnetic quenching of the slow fluorescence is related to a difference in the number of the triplet levels coupled to the optically excited singlet rovibronic level, based on the spin decoupling mechanism of the singlet–triplet mixed level.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456785
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  • 62
    Electronic Resource
    Electronic Resource
    Observation of collision-induced-dipole absorption bands in strontium–rare-gas mixtures. II. Bands involving high-lying states (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4499-4503 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have observed many collision-induced-dipole (CID) absorption bands arising from the transitions between quasimolecular ground and high-lying (n≤10) states in the strontium–rare-gas systems. For each absorption band, we have measured the energy shift of the absorption peak from the energy of the correlating atomic forbidden transition and the effective oscillator strength per unit perturber density fCID/Np. The shift is roughly proportional to the electron scattering length L0 for each rare-gas atom, whereas the fCID/Np is roughly proportional to L20. The shift decreases in general as the principal quantum number n increases, and increases as one goes from the s state to the d state, and to the degenerate manifold state with l≥3. These general features of the shift and fCID/Np are consistent with the predictions by a simple Fermi-potential model, suggesting the important role of the interaction between a Rydberg electron and a rare-gas atom in the CID absorption processes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456788
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  • 63
    Electronic Resource
    Electronic Resource
    Detection of the silylene ν2 band by infrared diode laser kinetic spectroscopy (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4582-4586 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The ν2 band of the silylene SiH2 molecule in X˜ 1 A1 was observed for the first time in the gas phase by using infrared diode laser kinetic spectroscopy. Silylene molecules were generated by the photolysis of phenylsilane at 193 nm. The observed spectrum was analyzed to determine the rotational and centrifugal distortion constants in the ground and v2 =1 states and the band origin ν0 =998.6241(3) cm−1 with one standard deviation in parentheses. The significance of the derived parameters is discussed in detail.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456746
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  • 64
    Electronic Resource
    Electronic Resource
    Dissociation dynamics of the d 1Πg and C 3Πg v=0–2 vibrational states in O2 (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4597-4602 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Using translational spectroscopy we have studied the d 1Πg and C 3 Πg Rydberg states of O2 . The dissociation of the vibrational levels v=0–2 to all energetically accessible dissociation limits has been followed. The dissociation pathways directly reflect the predissociation mechanisms involved. For the d 1 Πg Rydberg state competition between predissociation by a 3 Πg valence state, due to singlet–triplet mixing, and by a 1 Πg valence state has been observed. Using the Fermi golden rule the observed vibrationally dependent competition is reproduced, corroborating the positions of the lower 1 Πg and 3 Πg valence state curves and yielding various coupling strengths.
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    Quantum state-resolved study of pure rotational excitation of CO2 by hot atoms (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4636-4642 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Rotationally inelastic scattering of carbon dioxide by translationally hot H, D, and Cl atoms was studied by time-resolved diode laser absorption. The high J rotational distribution falls off quite rapidly between J=60 and J=80. D atom collisions have roughly twice the excitation cross section versus H atom collisions, with the H*/D* ratio decreasing with increasing J. These results are consistent with a constraint on the total reagent orbital angular momentum available for rotational excitation. Transient Doppler profiles measured immediately after hot atom/CO2 collisions indicate that CO2 molecules excited to high J levels have a larger recoil velocity than molecules excited to lower J levels. This result is consistent with predictions based on a simple model which treats the CO2 potential as a hard shell ellipsoid.
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    Diffusion-controlled reactions. I. Molecular dynamics simulation of a noncontinuum model (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4643-4650 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The molecular dynamics simulation method is extended to study a model of diffusion-controlled reactions. This allows a molecular description of solvent at an equal footing of reactants. Nondiffusional dynamic behavior of reactive molecules is found at short times. It enhances the rate of reactive encounter in comparison to the prediction of Smoluchowski theory. The model studied in this work can be regarded as a theoretical prototype of fluorescence quenching. In this context it is shown that the nondiffusional dynamics is mainly responsible for the discrepancy between Stern–Volmer plots measured in a continuous excitation experiment or obtained by integrating the time resolved fluorescence intensity. The other aspects such as the long-time behavior of survival probability, solvent effect as well as competing effect from finite concentration of one reactive species are also studied in some detail.
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    The reactions of iron clusters with water (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4714-4727 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The reactions of neutral iron clusters Fe7–27 with water are studied in a laser-vaporization cluster source coupled to a continuous-flow reactor. Reaction products are detected via laser ionization and time-of-flight mass spectrometry. The reactions of room-temperature clusters with H2O show adsorbate decomposition and hydrogen desorption, as do the reactions with D2O at elevated temperatures. The room-temperature reaction with D2O appears not to involve any decomposition, and is at equilibrium under the conditions of these experiments. The dependence of reaction extent on D2O pressure yields equilibrium constants for the addition of the first and second D2O molecules. The analysis is complicated by the presence of two-photon ionization processes that are treated quantitatively with a rate-equation model. This treatment also yields estimates for cluster photoabsorption cross sections, which are found to be approximately linear in cluster size, having a magnitude of 2.3×10−17 cm2 per iron atom. From the derived equilibrium constants and estimated adsorption entropies, approximate D2O–cluster binding energies are determined. They range from 0.42 to 0.59 eV, and their dependence on cluster size shows a remarkable similarity to the dependence of the rate constants for reaction of iron clusters with H2. The implications of this similarity are discussed.
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    Relativistic effect on total energies for determination of correlation energies of atoms from their experimental total energies (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4738-4744 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Relativistic effect Erel upon the total electronic energy of an atom is discussed with particular reference to obtaining the nonrelativistic total energy Eexact from the experimental total energy. Numerical values of this effect obtained by various authors by different nonempirical methods are compared for neutral atoms of rare-gas elements. It is shown that methods either of a Hartree–Fock-type or of a Dirac–Hartree–Fock-type give much the same Erel value for He through Ar. It is pointed out that Erel calculated with Hartree–Fock wave functions is not adequate for use in obtaining Eexact from the experimental total energy and that the Erel value calculated with wave functions including electron correlation should work well, although an actual demonstration can be done only for two-electron systems for lack of data. A semiempirical formula is therefore proposed, which is useful for least-squares fit of experimental total energies of isoelectronic series of atoms to extract nonrelativistic total energies along with the relativistic effect. From nonrelativistic energies thus derived, semiempirical values of correlation energies of atoms are obtained. The results thus obtained are in reasonable agreement with correlation energies derived by Clementi along somewhat different lines. The power series expansion in Z of the fitted formula for the He series shows that numerical values of expansion coefficients agree reasonably well with the corresponding values obtained by accurate relativistic and nonrelativistic Z expansion-type calculations.
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    On the electronic structure and spectrum of CuF2 and CuCl2 (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4785-4792 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The ground and low-lying states of CuF2 and CuCl2 have been studied using the single and doubles configuration interaction (SDCI) and coupled pair functional (CPF) methods in a large Gaussian basis set including up to g-type functions. The results include a determination of the bond distances for all the ligand field states (the three states with one hole in the 3d shell) and charge transfer (CT) states, and force constants for the ligand field states. Overall the SDCI (with or without the Davidson correction for higher excitations) and CPF results are in good agreement. The CPF results, which we believe to be the most accurate, can be summarized as follows. The computed value for the asymmetric stretching frequency in the 2Σ+g ground state of CuF2 is 740 cm−1, compared to the experimental value of 765 cm−1. The d–d transition energies for CuF2 are 2500 and 10 800 cm−1. The two lowest charge transfer states are at 31 200 and 33 900 cm−1, respectively. CuCl2 has been found to have a ground state which is an almost equal mixture of 2Σ+g and 2Πg when an estimate of the spin–orbit interaction is included. Three d–d transitions are found: 1600 cm−1 ( J=1/2), 7500 cm−1 (J=3/2), and 9700 cm−1 (J=5/2). The lowest charge transfer states have been computed to lie at 16 700 and 19 600 cm−1. Two bands have been found in the gas-phase spectrum of CuCl2 at 9000 and 19 000 cm−1, in good agreement with the present results. The computed f value for the CT band is 0.017, to be compared to the experimental value of 0.014.
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    Dissociation energy of the molecule AlBr from equilibrium measurements (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4909-4911 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The dissociation equilibrium AlBr=Al+Br was studied by effusion beam mass spectrometry over the range 1970 to 2260 K and the dissociation energy D00(AlBr) was derived as 4.41±0.06 eV. This value is in general agreement with other fragmentary thermochemical results, but it is lower than a value derived from a short extrapolation of vibrational levels in the excited 1π state, doubtless because of a potential maximum of about 0.22 eV in that state. A Birge–Sponer extrapolation of the ground state vibrational levels, when corrected for degree of ionicity, yields a D00 value in close accord with the experimental result, but an electrostatic model calculation falls short by 0.45 eV.
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    A new scheme for determination of the carrier mobility and main-chain conformation of an electroactive polymer chain by transient electric birefringence (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4920-4925 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new scheme of experimental criterion is proposed for estimating the carrier mobility and main-chain conformation of an electroactive polymer chain by the technique of transient electric birefringence (TEB). The rise response Δnr (t) and the decay response Δnd (t) in the TEB satisfy in the Kerr regime (i) Δnr (t)=Δnst -Δnd (t) for a polymer molecule of arbitrary conformation with an induced dipole moment alone arising from carriers highly mobile along the main chain, (ii) Δnr (t)=Δnst -(3/2)Δnd (t/3)+(1/2)Δnd (t) for a rodlike polymer molecule with a permanent dipole moment alone originating from carriers with low mobility, and (iii) Δnr(t)=Δnst-2Δnd (t/2)+Δnd (t) for a random-coiled polymer with a permanent dipole moment alone due to low-mobility carriers, where Δnst =limt→∞ Δnr(t) . Then, comparison of the TEB rise and decay responses gives us information on the carrier mobility and main-chain conformation. This criterion is valid also for polydispersed polymer samples. By applying the criterion to the exemplifying data of the TEB responses for soluble urethane-substituted polydiacetylenes, it is found that the polydiacetylene molecules take a random-coil conformation with a permanent dipole moment in a good solvent, while in a poor solvent the carrier mobility depends crucially on the solvent condition.
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    Imaging of spatial pattern formation in an oscillatory surface reaction by scanning photoemission microscopy (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4942-4948 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The rate of catalytic carbon monoxide oxidation on a Pt(100) single crystal surface under isothermal, low-pressure conditions exhibits for certain ranges of parameters (O2 and CO partial pressures, temperature) sustained temporal oscillations whose mechanism had been explored in previous work. Coupling between reaction and diffusion leads to spatial pattern formation as manifested by patches with different work function on the intrinsically homogeneous surface. Imaging is performed by means of the novel technique of scanning photoemission microscopy. Typically, nuclei with dimensions of a few microns, as determined by the instrumental resolution, are formed spontaneously and expand with sharp fronts and velocities of about 0.5 mm/min (at 480 K) up to sizes ≥1 mm. Waves with even more extended fronts propagating with somewhat higher velocities across the sample surface are responsible for the occurrence of large amplitude temporal oscillations of the integral reaction rate.
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    The bonding of acetonitrile and CH2CN on Ag(110) determined by near edge x-ray absorption fine structure: Evidence for π-donor bonding and azimuthal ordering (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4338-4345 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Carbon K edge near edge x-ray absorption fine structure (NEXAFS) spectra of adsorbed acetonitrile and reactive intermediates derived therefrom on Ag(110) were studied in order to determine their orientation and bonding to the surface. For both the multilayer and the adsorbed monolayer there is excellent agreement between the spectra of the adsorbed acetonitrile and the gas phase species. For the multilayer coverage the orientation of the acetonitrile molecules is not completely random; the molecules prefer an orientation with their bond axes closer to parallel than perpendicular to the surface. At monolayer coverage acetonitrile bound to the surface is unrehybridized. It is bound with its linear molecular skeleton parallel to the surface and randomly oriented azimuthally. Annealing molecular CH3 CN to 325 K in the presence of coadsorbed atomic oxygen produces a linear CH2 CN surface intermediate, the molecular axis of which is parallel to the surface and perpendicular to the close-packed direction. The C–C and C–N bond lengths are essentially unperturbed from their values in gas phase CH3 CN. Bonding appears to occur between the methylene carbon and the metal, as expected. A broadening of the π* resonance for transition into the π* orbital perpendicular to the surface is interpreted in terms of π-donor bonding.
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    Attenuated total reflectance infrared spectra of strongly absorbing anisotropic crystals: Orthorhombic Na2[Fe(CN)5NO]⋅2H2O (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4265-4272 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Attenuated total reflectance (ATR) from principal faces of orthorhombic (and higher symmetry) crystals in spectral regions including strongly polar optic modes is considered. A detailed, quantitative comparison between experimental and calculated ATR infrared (IR) spectra of orthorhombic sodium nitroprusside dihydrate (SNP), Na2[Fe(CN)5NO]⋅2H2O, single crystals in the 500–3800 cm−1 region is presented. Calculated ATR spectra are generated employing the dielectric tensor of SNP obtained from Kramers–Kronig analysis of external reflectance data. The dependence of intensities, profiles, and locations of bands in the spectra upon the relative refractive index of the sample against the ATR prism and the polarization state of the reflected IR beam will be discussed. Both theoretical and experimental evidence of the coupling of the TM-polarized evanescent wave with strong in-plane-polarized optic modes at about their LO frequencies will be given with reference to the case of the strong NO stretching mode of SNP. Finally, the computed and experimental ATR results in SNP single crystals will be critically compared with powder ATR data and reported polarized IR transmittance spectra of SNP single crystals plates.
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    X-ray diffraction study of liquid n-butane at 140 and 267 K (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4299-4306 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: X-ray diffraction data for liquid n-butane near the triple and boiling points are presented. The data are analyzed using scattering factors for −CH3 and −CH2 groups which permits extraction of structure and distribution functions for carbon sites. An intramolecular carbon–carbon distance at approximately 3.1 A(ring) is assigned to a short end-to-end distance in a near-gauche conformation, which is in agreement with the electron diffraction results for gaseous n-butane. The intermolecular pair distribution functions show a large difference in the liquid structure for the low and high temperature states, similar to that found in liquid propane.
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    Kinetics of the thermal desorption of indium from GaAs(100) (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4330-4337 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report studies of the kinetics of thermal desorption of In from Ga-stabilized GaAs(100) in ultrahigh vacuum. The relative coverage of In was monitored by x-ray photoelectron spectroscopy (XPS), while the substrate temperature was accurately measured using infrared laser interferometric thermometry. The In was deposited on GaAs by dosing, at room temperature, to saturated monolayer coverage with trimethylindium, yielding In ∼2×1014 cm−2. Subsequent heating to 400 °C desorbs all hydrocarbon species without affecting the In coverage. Further heating leads to first-order desorption of In, as confirmed by exponential decay of In(3d 5/2) XPS signal in isothermal desorption experiments at 473 and 503 °C. From temperature programmed desorption studies through the range 450 to 530 °C, differentiation of the In coverage vs time yielded desorption rates from which Arrhenius parameters were extracted. The unit-weighted average values of the preexponential factor and the desorption energy, obtained from three experiments with heating rates from 0.6 to 3.2 °C/min, are: log10A(s−1)=12.2±0.5 and Ed=53.5±1.2 kcal/mol, where the uncertainties are 1σ sample standard deviations. The Arrhenius parameters of desorption of In from Ga-stabilized GaAs(100) are found to be similar to those of vaporization of pure In. This is consistent with the known tendency of In to form islands on GaAs surfaces, but could also reflect the similarity of the local environments of an In atom adsorbed on an In island and an In atom adsorbed on a Ga-terminated surface. The observed first-order kinetics and the constancy of the In(3d 5/2) XPS signal up to the temperature where desorption occurs indicates that if islands are formed they are small (〈10 A(ring) diameter) at the low coverage used here.
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    Quasielastic light scattering studies of swollen and stretched polymer gels (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4360-4368 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Cooperative diffusion D of polyacrylamide gels in water was investigated by quasielastic light scattering both under the isotropically swollen state and under the uniaxially stretched and swollen state. The concentration (Ce) dependence of D for the isotropic gels having equilibrium degrees of swelling was measured by systematically changing crosslinking density of gels. The results yielded D=(3.4±0.5)×10−6 C0.76±0.03e cm2/s, in accord with a scaling prediction. For each of the gels prepared and having a given Ce, the uniaxial stretching was applied, and the values D were investigated as a function of extension ratio α and direction β with respect to the stretching direction. The results gave D (α,Ce)=(3.4±0.5)×10−6 αx Cye cm2/s, where x=2/3 for β=0° and −1/4 for β=90°, and y=0.76, independent of α and β. The results clearly indicate that upon increasing α, D increases and decreases, respectively, in the direction parallel and perpendicular to the stretching direction, implying suppression and enhancement of the concentration fluctuations as a result of the network being stiffened and softened in the respective directions.
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    Leading concentration correction to polymer dynamic self-structure factor (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4387-4400 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The discrete chain representation of multiple scattering theory of the concentration dependence of the hydrodynamics of polymer solutions is applied to the calculation of the leading concentration correction to the dynamic structure factor S(k,t) and its first and second cumulants of individual labeled Gaussian chains in theta solutions at nonzero concentrations. Contributions are separated into those from overall translational and internal chain motions as well as couplings between different internal modes and between translation and internal modes, coupling that are introduced by interchain hydrodynamic interactions. The separate contributions are analyzed as a function of k and of t in order to isolate regions where certain contributions are dominant. As expected, short times and larger k tend to favor contributions from internal chain dynamics, while longer times and smaller k make concentration dependent translational effects predominate. Computations for shorter chains are extrapolated to provide the asymptotic long chain behavior.
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    Symmetry breaking in HCl and DCl dimers: A direct near-infrared measurement of interconversion tunneling rates (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4418-4419 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The interconversion tunneling frequencies for (HCl)2 and (DCl)2 are obtained from near-infrared absorption spectra of the H(D)Cl stretching transitions, to spectroscopic precision for the mixed 35Cl–37Cl dimers. A phenomenological model of the interconversion process explains several experimental observations, and provides good estimates of the splittings expected for the 35Cl–35Cl and 37Cl–37Cl species.
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    Comment on "A theoretical study of the dissociation energy of BH using quadratic configuration interaction'' (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 4425-4426 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The dissociation energy of boron hydride has been calculated ab initio using a very accurate theoretical model, with an expected accuracy of ±0.2 kcal mol−1. The values of 85.7 and 82.4 kcal mol−1 for De and D0, respectively, confirm the conclusion of Curtiss and Pople [J. Chem. Phys. 90, 2522 (1989)], that the predissociation limit of 82.6±0.4 kcal mol−1 might be close to the actual dissociation energy, and that an earlier proposed De of 78.9 kcal mol−1 is in error.
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    Ultrafast vibrational dynamics of a photoexcited metalloporphyrin (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3525-3531 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The ultrafast photodynamics of four-coordinate nickel(II) porphyrins in noncoordinating solvents has been studied using femtosecond time resolved optical spectroscopy. Unambiguous evidence has been found for the formation of a metastable metal (d,d) excited state in less than 350 fs following excitation of the macrocycle. However, the transient absorption spectrum of this ligand-field electronic excited state continues to evolve and reaches the steady-state form only after about 20 ps. This spectral behavior and the attendant complex kinetics can be modeled phenomenologically in terms of a broad distribution of the (d,d) excited states evolving to a narrower distribution. The dynamics are associated with vibrational relaxation. Intramolecular and intermolecular contributions to this process are considered.
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    The Fourier grid Hamiltonian method for bound state eigenvalues and eigenfunctions (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3571-3576 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new method for the calculation of bound state eigenvalues and eigenfunctions of the Schrödinger equation is presented. The Fourier grid Hamiltonian method is derived from the discrete Fourier transform algorithm. Its implementation and use is extremely simple, requiring the evaluation of the potential only at certain grid points and yielding directly the amplitude of the eigenfunctions at the same grid points.
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    Treatment of rotational isomers in free energy calculations. II. Molecular dynamics simulation study of 18-crown-6 in aqueous solution as an example of systems with large numbers of rotational isomeric states (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3631-3637 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The evaluation of free energy differences using the perturbation method or thermodynamic integration method requires special caution if multiple rotational isomeric states may exist in the system under investigation. In this article a recently suggested procedure to properly treat rotational isomeric states is illustrated with a molecular dynamics simulation of an aqueous solution of uncomplexed 18-crown-6 crown ether, as an example of a system in which large numbers of isomeric states may exist. By using very long molecular dynamics simulations, thermodynamic perturbation methods and symmetry arguments, the free energy of host organization into the conformation required to form the complex with K+ is estimated to be 2.6 kJ mol−1. It has also been found that the lowest energy conformations of 18-crown-6 in vacuo do not necessarily correspond to the most populated conformations in aqueous solution.
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    The structure of liquid 1,2-dichloroethane by neutron diffraction. II. Pulsed neutron and isotope difference studies (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3689-3699 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Pulsed neutron diffraction measurements have been made on liquid 1,2-dichloroethane-d4 (DCE). The wide momentum-transfer range (∼0.3–50 A(ring)−1) available has been used to further refine previously measured molecular structure parameters as well as to test the validity of the inelasticity corrections applied. A measurement using chlorine isotopes on a steady (reactor) source served to partially separate the chlorine–chlorine and the chlorine–carbon plus chlorine–deuterium correlations. The isotopic difference curves were then analyzed and the relevant features of the distribution of internal dihedral angles [P(τ)] obtained by adequate inversion of the experimental difference–functions. The intermolecular pair correlation function was then derived and both sets of functions (from pulsed and steady sources) are compared and tentatively assigned.
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    Brownian dynamics study of the end-to-end distribution function of star and linear polymers in different regimes (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3721-3723 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Brownian dynamics computer simulations are used to investigate the shape of the mean-squared end-to-end distance distribution function in the three regimes: (1) excluded volume; (2) θ; (3) collapsed. It is found that Mazur's function fits regime (1), that the Gaussian function fits regime (2), and that neither of these appear to describe the collapsed state. The implications of these results to theories of ring formation during polymerization is pointed out.
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    URL: http://dx.doi.org/10.1063/1.456854
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    An ab initio semirigid bender calculation of the rotation and trans-tunneling spectra of (HF)2 and (DF)2 (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 5154-5159 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Using a purely ab initio minimum energy path for the trans-tunneling motion in the HF dimer, the energy levels for the K-type rotation and trans-tunneling motion for (HF)2 and (DF)2 are calculated with a one-dimensional semirigid bender Hamiltonian and no adjustable parameters. The transition moments for rotation-tunneling transitions are calculated, using our ab initio value for the dipole moment of an isolated HF molecule, and we also calculate B¯ values. The energy levels we obtain are in close agreement with experiment; for example, the K=0 tunneling splitting in (HF)2 is calculated as 0.65 cm−1 compared to the experimental value of 0.658 69 cm−1. As well as showing that our ab initio minimum energy path is very good, the calculation demonstrates that the semirigid bender formalism is able to account quantitatively for the unusual K dependence of the rotational energies resulting from the quasilinear behavior, and that the trans-tunneling motion is separable from the other degrees of freedom. We use the results to predict the locations, and transition moments, of the ΔK=0 and ±1 subbands in the tunneling spectra of (HF)2 and (DF)2, many of which have not yet been observed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457613
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    Infrared spectroscopy of carbo-ions. V. Classical vs nonclassical structure of protonated acetylene C2H+3 (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 5139-5153 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The problem of classical vs nonclassical structure of protonated acetylene (vinyl cation) C2H+3 has been studied using high resolution infrared spectroscopy. The spectrum has been observed in the 3.2 μm region in air-cooled and water-cooled plasmas using C2H2:H2:He mixtures and in liquid nitrogen-cooled plasmas using CH4:H2:He mixtures. The difference frequency spectrometer with the velocity modulation method has been used to conduct the Doppler-limited, high sensitivity spectroscopy.The observed vibration–rotation pattern with the band origin at 3142.2 cm−1 has been identified as due to the antisymmetric CH stretching ν6 band of the C2H+3 ion with the nonclassical (bridged) structure. The observed spectral pattern was anomalous, but definitive assignments could be made for a part of the spectrum using the ground state combination differences which fit to the usual asymmetric rotor pattern. The discrimination between the classical and nonclassical structures is based on the observed spectral intensity pattern due to spin statistical weights. Agreement of vibrational band patterns and the rotational constants with ab initio values gives supporting evidence. The anomaly of the spectrum is at least partly ascribed to the small energy difference between the classical and nonclassical structures and possible rearrangement between them, the idea used by organic chemists over the years in wet chemistry. Systematic splittings with the intensity ratio of 2:1 have been noticed in some parts of the spectrum indicating that the protons tunnel between the apex and the two end equilibrium positions of the bridged structure. Using a simplified internal rotation model proposed by Hougen, the barrier height of the tunneling has been estimated. Chemical kinetics in plasmas related to C2H+3 is also discussed.We conclude that (1) the nonclassical structure is lower in energy than the classical structure, and (2) the apex proton and the two end protons exchange their positions with a measurable time scale.
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    URL: http://dx.doi.org/10.1063/1.457612
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  • 88
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    Phonon wings in inelastic neutron scattering spectroscopy: The harmonic approximation (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 5164-5169 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The inelastic neutron scattering (INS) spectra of some ammonium halides and ammonium nitrate are analyzed in terms of the internal vibrations of the NH+4 ion convoluted with multiphonon lattice modes up to the eighth term. Due to the low mass of this ion, most of the intensity of the internal-mode region of the INS spectra is in the "phonon wings,'' differences between the salts in this spectral region being mainly due to differences in their lattice-mode spectra. Refinement of the lattice Debye–Waller factor is included in the profile refinement of interatomic force constants.
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    URL: http://dx.doi.org/10.1063/1.457615
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  • 89
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    A new determination of the dissociation energy of acetylene (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 5160-5163 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new upper bound for the dissociation energy of acetylene, D00(HCC–H) =529.89(±0.01) kJ/mol, has been determined by Stark anticrossing spectroscopy. The zero-pressure extrapolated (unimolecular) decay rates of levels of S1 (A˜ 1Au) v'3=2 and 3 (quanta of the trans-bending vibration) increase upon application of an electric field of 113 kV/cm. We attribute this increase in molecular decay rate to predissociation rather than any other Stark-induced nonradiative or radiative phenomenon. The lowest level (v'3 =2, J'=2, K'=1) from which we have observed an increase in decay rate (i.e., predissociation) has an internal energy of 44 295.65 cm−1 relative to v=0, J=0 of S0 (X˜ 1∑+g). This corresponds to a value about 24 kJ/mol lower then the consensus upper bound result from four different recent experimental determinations (including one of ours) as well as current ab initio results. The new value agrees, however, with earlier work and with recent modeling studies of acetylene pyrolysis kinetics.
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    URL: http://dx.doi.org/10.1063/1.457614
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    Photoelectron spectra of the alkali metal cluster anions: Na−n=2–5, K−n=2–7, Rb−n=2–3, and Cs−n=2–3 (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3792-3793 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456861
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  • 91
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    Divalent manganese in tetragonal sites of Cs2NaYCl6 (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 2776-2778 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Electron paramagnetic resonance (EPR) studies performed at room tempertaure in Mn2+ doped Cs2NaYCl6 single crystals (elpasolite) showed that the Mn2+ ion occupies a tetragonal symmetry site in the cubic crystalline lattice. In contrast with previous results on elpasolite, where trivalent rare earth impurities occupy Oh sites, and divalent europium impurities occupy trigonal sites, this work reports, the first evidence of an impurity in a tetragonal symmetry site in this host with principal axes along 〈100〉 crystallographic directions. The unusually large total splitting of the EPR spectrum (∼10 000×10−4 cm−1) is discussed in order to establish a tentative model for the site.
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    URL: http://dx.doi.org/10.1063/1.456946
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  • 92
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    Rigorous bounds to molecular electron repulsion and electrostatic potential integrals (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3596-3602 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Novel rigorous upper and lower bounds, at primitive level, to general electron-repulsion integrals (ERIs) involving Gaussian basis sets have been derived and interconnections with the earlier works in the literature are brought out. New optimal strategies for a preemptive elimination of insignificant ERIs at atom and contraction levels are discussed and tested, resulting in a significant reduction in CPU time. Similar analysis is carried out for the computation of the molecular electrostatic potential for the first time in the literature, leading to a marked savings in computer time.
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    URL: http://dx.doi.org/10.1063/1.456892
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    Multiphoton ionization of O2 X 3Σ−g, a 1Δg, and b 1Σ+g via the two-photon resonant nsσg, ndσg, and ndπg Rydberg levels (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 5185-5200 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Multiphoton ionization spectra have been obtained and analyzed for excitation in the 215–360 nm region from the X 3Σ−g, a 1Δg, and b 1Σ+g states of O2. The 0–0 band of the C 1Πg state is reported for the first time. Measurements of other vibrational bands terminating in the C 3Πg and d 1Πg states are in good agreement with determinations by other groups. Several vibrational levels (v'=0–5) of the 3dπg Rydberg complex have been assigned on the basis of (1) an analysis of the spin–orbit couplings between the (Λ,S) basis-set states, (2) spectral simulation, and (3) the behavior of the states when the excitation radiation is changed from linear to circular polarization.
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    URL: http://dx.doi.org/10.1063/1.457589
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    Rotational populations in OD formed in the reaction O(1D)+D2 investigated by infrared rotational absorption spectroscopy (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 5201-5207 
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    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Diode laser transient absorption/gain spectroscopy is used to monitor time-dependent populations of high rotational levels in OD (v=0) produced in the reaction of O(1D)+D2. Pure rotational transitions on species with large dipole moments offer good sensitivity, full state resolution and μs time resolution in the present apparatus. Measured nascent populations of OD in the four highest rotational levels thermodynamically accessible in this reaction are in reasonable agreement with the reported results of earlier laser-induced-fluorescence measurements, in which corrections for transition moments and predissociation introduce increasing uncertainties at high rotational levels. The relaxation kinetics of the highest rotational levels are not hopelessly complex, and evidence is presented for strong, but not complete propensity for conservation of Λ doublet symmetry during rotational relaxation.
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    URL: http://dx.doi.org/10.1063/1.457590
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    A surface constrained all-atom solvent model for effective simulations of polar solutions (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3647-3661 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A consistent simulation of ionic or strongly polar solutes in polar solvents presents a major challenge from both fundamental and practical aspects. The frequently used method of periodic boundary conditions (PBC) does not correctly take into account the symmetry of the solute field. Instead of using PBC, it is natural to model this type of system as a sphere (with the solute at the origin), but the boundary conditions to be used in such a model are not obvious. Early calculations performed with our surface constrained soft sphere dipoles (SCSSD) model indicated that the dipoles near the surface of the sphere will show unusual orientational preferences (they will overpolarize) unless a corrective force is included in the model, and thus we implemented polarization constraints in this spherical model of polar solutions. More recent approaches that treated the surface with stochastic dynamics, but did not take into account the surface polarization effects, were also found to exhibit these nonphysical orientational preferences. The present work develops a surface constrained all-atom solvent (SCAAS) model in order to consistently treat the surface polarization effects in all-atom molecular dynamics simulations. The SCAAS model, which was presented in a preliminary way in previous works, introduces surface constraints as boundary conditions in order to make the necessarily finite system behave as if it was part of an infinite system. The performance of the model with regard to various properties of bulk water is examined by comparing its results to those obtained by PBC simulations. The results obtained from SCAAS models of different sizes are found to be similar to each other and to the corresponding PBC results. The performance of the model in simulations of solvated ions is emphasized and a comparison of the results obtained with spheres of different sizes demonstrates that the model does not possess significant size dependence. This indicates that the model can be used with a relatively small number of solvent molecules for convergent simulation of structure, energetics, and dynamics of polar solutions. The much simpler fixedcenter Langevin dipoles (FCLD) model is also examined and found to provide a powerful tool for estimating solvation free energies. Finally, a preliminary study of the dielectric properties of the SCAAS model is reported and the potential of this model for exploring the correct implementation of the solvent reaction field is discussed.
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    URL: http://dx.doi.org/10.1063/1.456845
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    Shift of first-order phase transitions in thin films due to boundary fields: A computer simulation (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3700-3706 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The first-order phase transition of the ferromagnetic Ising model driven by the magnetic field at temperatures below criticality is studied by Monte Carlo methods for a two-dimensional thin film geometry, L×M with two free boundaries of length M(very-much-greater-than)L, at which boundary fields act. This model study is relevant, in particular, for phase transitions in monolayers adsorbed at stepped surfaces. While in the bulk geometry (L→∞) this transition occurs for zero field in the present model, with the system "jumping'' from a state with uniformly positive magnetization to a state with uniformly negative magnetization, in the thin film geometry the transition occurs at a critical field H*∼L−1, and the two states between which the transition occurs are characterized by strongly nonuniform magnetization profiles across the film. These findings are in agreement with the scaling theory of Fisher and Nakanishi.
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    URL: http://dx.doi.org/10.1063/1.456851
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    A stability condition for the Hartree–Fock solution of the infinite one-dimensional system (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3724-3728 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A simplified stability condition for the Hartree–Fock (HF) solution giving the self-consistent field crystal orbitals (SCF-CO) of the infinite one-dimensional system is derived. Since the present formulation, particularly for the systems having nearly or entirely degenerated highest occupied and the lowest unoccupied COs, contains only two physical parameters, that is, the density of states and the Coulomb repulsion integrals both at the Fermi level, it is tractable to examine the stability of the HF solutions of such polymers as well as the ordinary molecular systems. An example of its application to metallic trans-type polyacetylene is also shown.
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    Distributed electronic relaxation and nonexponential fluorescence in polymers: Reversibility in donor–excimer pairs—A perturbation theory treatment (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3744-3761 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An ensemble of distributed donor molecules that undergoes rotational transitions into a discrete excimer state has been analyzed, in an attempt to model distributed electronic relaxation and nonexponential fluorescence of aromatic polymers in presence of rotational sampling processes. In case of irreversible trapping, the donor survival function has been formulated in terms of the one-sided Laplace transform and specified for a modified Gaussian distribution to yield a closed-form expression for the donor decay. The formalism permits a time-dependent rate function to be derived that makes possible the construction of the excimer excitation function by means of the convolution theorem. In case of reversible constraints, a generalized treatment based upon time-dependent transition and transform matrices has been given which applies a perturbation technique for approximately solving the system of nonautonomous differential equations in the time domain. In the limit of weak coupling, the method develops approximate Mth order expressions (M=2,4,6, and 8) to the fluorescence response functions of donor and excimer. The perturbational solutions are well behaved up to relatively long time scales and they prove useful for providing the typical nonexponential time behavior of such a system affected by dispersion and dissociation. The physical restriction of this mathematical analysis (weak reversibility) has been addressed and the implications of distributed event times in future analyses of polymer fluorescence have been discussed.
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    URL: http://dx.doi.org/10.1063/1.456857
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  • 99
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    Vibrational spectra and potential energy surface for the ring bending and ring twisting of 5,6-dihydro-2H-thiopyran (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 2771-2775 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: 5,6-Dihydro-2H-thiopyran, CH2CH2CH=CHCH2S, has been synthesized and its far-infrared and Raman spectra recorded. Two series of sharp bands were observed originating from 139 and 235 cm−1 in the infrared spectrum for the out-of-plane ring-bending and the ring-twisting vibrations, respectively. A detailed energy level diagram including numerous excited states was determined for the two coupled vibrations. The two-dimensional potential energy surface, which satisfactorily fits more than two dozen observed transitions, was calculated to be V=2.431×104 x41 −0.383×104x21 +2.258×104x42 −1.966×104 x22 +1.026×105x21 x22 , where x1 is the ring-bending coordinate and x2 is the ring-twisting coordinate. The minimum energy on the potential surface corresponds to a twisting angle of 37.8° (the half-chair conformation). The lowest energy bent (boat) conformation corresponds to a saddle point 4130 cm−1 above the twisted conformation on the potential energy surface. The results are compared to analogous molecules and to molecular mechanics calculations.
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    URL: http://dx.doi.org/10.1063/1.456945
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    Vacuum ultraviolet absorption spectra of thiirane and thietane (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 2808-2813 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Photoabsorption cross sections of thiirane and thietane vapors have been studied in the 110–240 nm region using synchrotron radiation. A number of peaks from thiirane and thietane are arranged into four and five Rydberg series, respectively, converging to the first ionization potential. Many Rydberg peaks from both molecules are observed to possess vibronic structures. The vibrational progressions from thiirane are assigned to the CH2 wagging (ν4) and CS symmetry stretching (ν5) modes. For thietane, the CH2 wagging (ν5) and CS symmetry stretching (ν7) modes of the excited states are found to be active. Molecular geometries and vibrational frequencies for the excited states are discussed on the basis of ab initio calculations.
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    URL: http://dx.doi.org/10.1063/1.456949
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