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  • Inorganic Chemistry  (67)
  • Physical Chemistry  (37)
  • Physics  (30)
  • Atomic, Molecular and Optical Physics  (28)
  • Letters
  • Wiley-Blackwell  (162)
  • National Academy of Sciences
  • 1985-1989  (162)
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  • Wiley-Blackwell  (162)
  • National Academy of Sciences
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  • 1
    Electronic Resource
    Electronic Resource
    Additionen von SF5Cl und TeF5Cl an 〈C=C〉 Doppelbindungen (1987)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 544 (1987), S. 74-80 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Addition of SF5Cl and TeF5Cl on 〈C=C〉 double bondsAddition of SF5Cl on 〈C=C〉 double bonds is investigated in a few examples. The results indicate a radical mechanism, in which the SF5· free radical attacks the double bonds first. This is in agreement with many earlier findings. The direction of the addition is not changed by sterical influences. Sterically strained derivatives such as (SF5)2CH—CF2Cl and SF5(CF3)2C—CH2Cl are obtained.In a single case the addition of TeF5Cl on CH2=CF2 was possible, but the analogous reaction with SeF5Cl was unsuccessful.
    Notes: Die Addition von SF5Cl an 〈C=C〉 Doppelbindungen wird an einigen Beispielen untersucht. Übereinstimmend mit früheren Untersuchungen legen die Ergebnisse einen radikalischen Additionsmechanismus nahe, in dem zuerst das SF5·-Radikal die Doppelbindung angreift. Diese Additionsrichtung kann nicht durch sterische Einflüsse beeinflußt werden. So werden sterisch anspruchsvolle Derivate wie (SF5)2CH—CF2Cl und SF5(CF3)2C—CH2Cl erhalten. In einem Einzelfall gelingt auch die Addition von TeF5Cl an CH2—CF2, während die analoge Umsetzung mit SeF5Cl versagt.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19875440106
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  • 2
    Electronic Resource
    Electronic Resource
    Reaction rate analysis of complex kinetic systems (1989)
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 21 (1989), S. 83-99 
    Details
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Using the elementary sensitivity densities, a reaction rate sensitivity gradient is obtained which is the derivative of the rate of species concentration change with respect to the rate coefficient. The dimensionless (log-normalized) form of the reaction rate sensitivity gradient is the ratio of the rate of concentration change of species i due to elementary reaction j and the net rate of concentration change of species i. This result provides a mathematical basis for the use of various forms of reaction rate analyses in the study of complex reaction mechanisms. The kinetic information inherent in the relative reaction rate matrix is extracted by principal component analysis. The method is used to analyze the mechanism of high-temperature formaldehyde oxidation and high-temperature propane pyrolysis. Ranking of the elementary reactions allowed us to reduce significantly the original mechanisms and a detailed study of the results revealed the reaction structures and the major reaction paths of the species.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/kin.550210203
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  • 3
    Electronic Resource
    Electronic Resource
    Morphological studies of liquid-crystalline cellulose derivatives. II. Hydroxypropyl cellulose films prepared from liquid-crystalline aqueous solutions (1985)
    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Physics Edition 23 (1985), S. 1053-1064 
    Details
    ISSN: 0098-1273
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: A morphological study of hydroxypropyl cellulose (HPC) was performed on solid films prepared by casting from a liquid-crystalline aqueous solution at rest or under shear. Electron microscopic observations reveal that many round particles composed of stacked disks are densely packed in the interior of a quiescently cast HPC film, while on the film surface formation of fibrous textures is also noted. Shear-deformed HPC films exhibit some interesting morphological features according to the shearing conditions. It is found by electron microscopy that the originally round particles become more and more elongated as shear stress increases. The resulting rodlike fibrillar entities are considerably aligned in the shear direction (SD), but form a banded structure with periodic discontinuities of molecular orientation distribution along the SD. A new mechanism of structural transformation is proposed in order to interpret these results.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pol.1985.180230515
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  • 4
    Electronic Resource
    Electronic Resource
    Morphological studies of liquid-crystalline cellulose derivatives. I. Liquid-crystalline characteristics of hydroxypropyl cellulose in 2-hydroxyethyl methacrylate solutions and in polymer composites prepared by bulk polymerization (1985)
    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Physics Edition 23 (1985), S. 1043-1052 
    Details
    ISSN: 0098-1273
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The formation of liquid-crystalline structure in hydroxypropyl cellulose (HPC) in the solvent 2-hydroxyethyl methacrylate (HEMA) is described. In addition, an attempt is made to preserve the ordered structure of HPC in a composite by polymerizing the solvent. Optical evidence, including refractive index, absorption spectra, polarized-light microscopy, and x-ray diffraction, indicates that HPC-HEMA solutions exhibit the cholesteric nature of the mesophase over limited concentration and temperature ranges. The polymer composite (HPC-PHEMA) prepared from the liquid-crystalline solution by polymerization of HEMA is endowed with anisotropic organization reflecting liquid-crystalline character. Detailed morphological observations of the composite by electron microscopy show many round particles composed of parallel-stacked, disklike lamellae, and aggregate bodies developed by coalescence of neighboring particles.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pol.1985.180230514
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  • 5
    Electronic Resource
    Electronic Resource
    Simultaneous differential scanning calorimetry and small-angle x-ray scatteringSome of the materials incorporated in this work were developed at the Stanford Synchrotron Radiation Laboratory with the financial support of the National Science Foundation (contract DMR77-27489), in cooperation with the Department of Energy. (1985)
    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Physics Edition 23 (1985), S. 1109-1115 
    Details
    ISSN: 0098-1273
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: A method is described for performing simultaneous measurements of small-angle x-ray scattering and differential scanning calorimetry. The experiment is made possible through a combination of the high flux afforded by the storage ring at the Stanford Synchrotron Radiation Laboratory, a linear position-sensitive detector with rapid response time, and a differential scanning calorimeter developed for optical microscopy. The feasibility of the technique is illustrated by examining the melting and crystallization of a polyethylene specimen. This example demonstrates the power of the technique and the accuracy and reliability of the scattering and thermal data.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pol.1985.180230603
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  • 6
    Electronic Resource
    Electronic Resource
    Coexistence of two isomers in the crystal of 1,5-dihydro-1,5-dimethyl-3,3,7,7-tetraphenylcyclotetrasiloxane (1985)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 524 (1985), S. 75-82 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Koexistenz von zwei Isomeren im Kristall des 1,5-Dihydro-1,5-dimethyl-3,3,7,7-tetraphenyl-cyclotetrasiloxansDie Kristall- und Molekularstruktur der Titelverbindung wurde bestimmt. Die gefundene ungeordnete Struktur kann als Ergebnis der Koexistenz von zwei Isomeren (cis und trans, jedes in zwei Konformationen) im Kristall angesehen werden.
    Notes: Crystal and molecular structure of the title compound has been determined. The structure disordering has been detected which can be considered as a result of coexistence of two isomers (cis and trans, each in two conformations) in the crystal.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19855240510
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  • 7
    Electronic Resource
    Electronic Resource
    Structures of Two Cyclotetrasiloxanes with Intra and Intercyclic -CH2CH2-Bridges (1986)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 533 (1986), S. 159-164 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Strukturen von zwei Cyclotetrasiloxanan mit intra- und intercyclischen  - CH2CH2-BrückenDie Molekularstrukturen von zwei Cyclotetrasiloxanen mit intra- und intercyclischen Ethylenbrücken wurden durch Röntgenstrukturanalyse bestimmt. Aufgrund der intracyclischen Brücke resultiert eine Sattel-Konformation, die für Tetrasiloxan-Ringe ungewöhnlich ist und eine deutliche Spannung des Ringes ergibt. Die Tetrasiloxan-Ringe, die durch diese Brücke verbunden sind, haben eine hochsymmetrische Sessel-Konformation, die wahrscheinlich in dem entsprechenden Polymer bestehen bleibt.
    Notes: Molecular structures of two cyclotetrasiloxanes with intra and intercyclic ethylene bridges were determined by an X-ray structure analysis. The presence of the intracyclic bridge results in a saddle conformation, unusual for tetrasiloxane cycles, and in a significant strain of the cycle. The tetrasiloxane cycles linked by this bridge have a highly symmetric chair conformation which is likely to persist in the corresponding polymer.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19865330219
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  • 8
    Electronic Resource
    Electronic Resource
    High-resolution photoelectron spectrum of ozone (1986)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 29 (1986), S. 657-661 
    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 photoelectron spectra of ozone have been recorded and the first three electronic band systems reassigned on the basis of observed vibrational structure and calculations reported in the literature. The systems X̃,Ã, and B̃ at 12.75, 13.03, and 13.57 eV are assigned as 2A1, 2A2, and 2B2, respectively.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560290408
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  • 9
    Electronic Resource
    Electronic Resource
    The construction and fitting of molecular potential energy surfaces and their use in vibration-rotation calculations (1986)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 30 (1986), S. 507-520 
    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 state-of-the-art in non-empirical calculations of potential energy surfaces for small molecules is discussed, as is the present position with respect to the analytic fitting of such surfaces. The results of some nonempirical vibration-rotation calculations performed on such analytic surfaces are presented and compared with experimental results. An attempt is made to assess the extent to which present methods of electronic structure calculation and present analytic fitting methods are adequate to produce surfaces for the interpretation of high-resolution spectral data.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560300744
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  • 10
    Electronic Resource
    Electronic Resource
    Electron impact cross sections and spatial aspects of electron energy degradation in water vapor (1986)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 30 (1986), S. 547-554 
    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: Using a comprehensive set of electron cross sections, we have carried out a Monte Carlo study of the spatial and energetic aspects of electron degradation in the energy range from 30 eV to 1 MeV. The results are given in terms of a four-dimensional spatial yield spectral distribution. This is represented by a simple approximate analytic form which is convenient to use for calculating the spatial distribution of the initial species created due to electron energy degradation. We also investigate the sensitivity of these electron transport results to some of the input cross sections. We have specifically examined the influence of the assumed form of cross sections for vibrational states on the gross yields. We conclude that in transport calculations it is important to use approximate forms with reasonable asymptotic limits. Finally, we call attention to molecular processes which are important in microdosimetry but whose cross sections are particularly uncertain.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560300748
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