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  • Engineering  (4,702)
  • Computational Chemistry and Molecular Modeling
  • 2000-2004  (3)
  • 1990-1994  (5,686)
  • 1980-1984  (3,045)
  • 1945-1949
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Year
  • 1
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    Biological networks: the tinkerer as an engineer (2003)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2003-09-27
    Description: This viewpoint comments on recent advances in understanding the design principles of biological networks. It highlights the surprising discovery of "good-engineering" principles in biochemical circuitry that evolved by random tinkering.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Alon, U -- New York, N.Y. -- Science. 2003 Sep 26;301(5641):1866-7.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Molecular Cell Biology, Weizmann Institute of Science, Rehovot, Israel 76100. urialon@weizmann.ac.il〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/14512615" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Biochemical Phenomena ; Biochemistry ; *Biological Evolution ; *Biology ; DNA/metabolism ; Engineering ; *Models, Biological ; Proteins/metabolism ; Signal Transduction ; Systems Theory
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 2
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    Interdisciplinary research. Keck gives $40 million for academies initiative (2003)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2003-04-26
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Bhattacharjee, Yudhijit -- New York, N.Y. -- Science. 2003 Apr 25;300(5619):565.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/12714717" target="_blank"〉PubMed〈/a〉
    Keywords: *Academies and Institutes ; Engineering ; *Foundations ; Institute of Medicine (U.S.) ; *National Academy of Sciences (U.S.) ; *Research Support as Topic ; United States
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 3
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    Planetary science. Safety versus science on next trips to Mars (2002)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2002-05-11
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Kerr, Richard A -- New York, N.Y. -- Science. 2002 May 10;296(5570):1006-8.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/12004100" target="_blank"〉PubMed〈/a〉
    Keywords: Engineering ; Extraterrestrial Environment ; Geological Phenomena ; Geology ; *Mars ; *Safety ; Space Flight ; *Spacecraft ; United States ; United States National Aeronautics and Space Administration ; Water
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 4
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    M.D.-Ph.D. degrees (1993)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 1993-12-17
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Gottheil, D L -- Waldrop, T G -- New York, N.Y. -- Science. 1993 Dec 17;262(5141):1801-2.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/8266063" target="_blank"〉PubMed〈/a〉
    Keywords: *Education, Graduate ; *Education, Medical ; Engineering ; Humanities ; Humans ; Research ; Science ; Social Sciences
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 5
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    Women scientists and engineers: trends in participation (1981)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 1981-12-18
    Description: Women have made tremendous strides in educational attainment in science and engineering over the past decade, increasing their proportion of doctorate awards in these fields from 7 percent in 1965 to 23 percent in 1980. But they still have higher unemployment rates and lower salaries than men in all fields of science and engineering, at all degree levels, and at all levels of experience; and the disparities between men and women widen with higher degree levels and with years of experience. Graduate enrollments indicate continuing increases over at least the next several years in degree awards to women, but their access to equal employment and advancement opportunities is not assured.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Vetter, B M -- New York, N.Y. -- Science. 1981 Dec 18;214(4527):1313-21.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/7313688" target="_blank"〉PubMed〈/a〉
    Keywords: Education, Graduate ; Employment ; Engineering ; Female ; Humans ; Salaries and Fringe Benefits ; *Science ; *Women
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 6
    Electronic Resource
    Electronic Resource
    Introducing engineering into American secondary education (1993)
    Springer
    Journal of science education and technology 2 (1993), S. 397-406 
    Details
    ISSN: 1573-1839
    Keywords: Engineering ; technological literacy ; hands-on experiments ; active learning ; content instruction ; videotaping
    Source: Springer Online Journal Archives 1860-2000
    Topics: Natural Sciences in General , Technology
    Notes: Abstract Media reports indicate the decline of the technological literacy of American youth, especially that students in other countries are better prepared in science and mathematics. Our active-learning program, which consists of numerous hands-on experiments, introduces engineering applications into science and math programs, that will demonstrate to students the usefulness of the theory that they currently do not see as useful. The program, when fully developed, will make optimum use of technology, especially computers and videotapes. The hands-on experiments allow students to discover fundamental principles through data analysis and then use the principles to synthesize a solution to a technological problem. This discovery-based education will help school systems better meet performance standards such as those in the Maryland School Performance Plan. The experimental approach to science education is especially important in a technology-oriented economy where children use the new technologies without understanding the principles on which they are based.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00694528
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  • 7
    Electronic Resource
    Electronic Resource
    Electronic absorption and emission spectra of nucleic acids and their components: Some questions of theory and experimentPresented at the International Conference on Quantum Chemistry, Biology, and Pharmacology held at Kiev, U.S.S.R., September 1978. (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 17 (1980), S. 307-320 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The results of calculations of the transition energies and polarization in nucleotide bases performed by the CNDO/S CI method are compared with experimental data for long-wavelength and vacuumabsorption bands. The calculations and the analysis of experimental data testify to the existence of n - π* transitions in the first absorption bands of the bases. The study of double-stranded polynucleotides and DNA hypochromism based on the theoretical electronic characteristics of the bases and perturbation theory is performed. The role of stacking and complementary interactions within the hypochromic effect is cleared up. Two mechanisms for the shift of the fluorescence band maximum are investigated: two-proton transfer along H bonds and excimer formation. The study of H-bond potential curves shows the disadvantage of two-proton phototautomerism in the nucleotide base pairs in contrast to model systems. The possibility of excimer state formation in stacked homo- and heterodimers of nucleotide bases is shown within the extended-Hückel treatment. The nature of excimer minimum for the excited-state potential curve is analyzed.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560170214
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  • 8
    Electronic Resource
    Electronic Resource
    Equations de Hartree-Fock dependant du temps (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 17 (1980), S. 531-547 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The time-dependent Hartree-Fock (TDHF) equations are derived up to the second order when the system is perturbed by a monochromatic plane wave. The solutions of the equations are subjected to the orthonormalization conditions satisfied by the orbitals. In the equations, these conditions are expressed by the appearing of coefficients λjkn,ε playing the part of Lagrangian multipliers. Relations between the coefficients λjkn,ε are established. These relations are equivalent to the above-mentioned orthonormalization conditions. This equivalence enables us to substitute for the solution of an integrodifferential equation system subject to constraint conditions, that of a free system. The TDHF equations obtained determine the first- and second-order orbital perturbations, which no doubt verify the orthonormalization conditions. These orbitals can be used in the calculation, up to second order, of different nonlinear optical effects.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560170313
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  • 9
    Electronic Resource
    Electronic Resource
    Books Received (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 17 (1980), S. 596-596 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560170317
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  • 10
    Electronic Resource
    Electronic Resource
    Study of pair correlation in three-electron atoms (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 17 (1980), S. 619-629 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Pair correlation in the ground state of the Li isoelectronic sequence is studied through four approximate wave functions which incorporate inter- and intrashell pair correlation. Of these functions, two possess symmetry appropriate to a three-electron system, while two do not. The functions are not variational functions in the usual sense. They are instead fixed linear combinations of products of orbitals and pair functions for the appropriate states of two-electron atoms. They are considered here as zero-order approximations to the exact wave functions, and the corresponding zero-order Hamiltonians are obtained. The simplest of these functions is improved by the introduction of a screening parameter for the “outer” electron. This latter function is found to be a satisfactory compromise between accuracy and simplicity and is proposed for study via higher-order perturbation theory.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560170404
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