MOLECULAR MECHANICS CALCULATION ON THE HYDROXYL STRETCHING FREQUENCY IN SATURATED ALCOHOLS

被引:15
作者
CABALLERO, JC
VANDERMAAS, JH
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D O I
10.1016/0022-2860(85)80150-2
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
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页码:57 / 75
页数:19
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共 44 条
[1]  
ALLINGER NL, 1980, ISRAEL J CHEM, V20, P51
[2]   INFRA-RED CRYOGENIC STUDIES .5. ETHANOL AND ETHANOL-D IN ARGON MATRICES [J].
BARNES, AJ ;
HALLAM, HE .
TRANSACTIONS OF THE FARADAY SOCIETY, 1970, 66 (572) :1932-&
[3]   POLAR BONDS AND POLARIZABILITY IN CONFORMATIONAL ENERGY CALCULATIONS - APPLICATION OF A POLARIZATION MODEL TO ALKYL-HALIDES [J].
BOYD, RH ;
KESNER, L .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (03) :2179-2190
[4]   NEW APPROACH TO EMPIRICAL INTERMOLECULAR AND CONFORMATIONAL POTENTIAL-ENERGY FUNCTIONS .2. APPLICATIONS TO CRYSTAL PACKING, ROTATIONAL BARRIERS, AND CONFORMATIONAL-ANALYSIS [J].
BURGESS, AW ;
SHIPMAN, LL ;
SCHERAGA, HA .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1975, 72 (03) :854-858
[5]   CALCULATION OF ALCOHOL CONFORMATIONS BY MOLECULAR MECHANICS [J].
BURKERT, U .
TETRAHEDRON, 1979, 35 (02) :209-212
[6]  
COX JD, 1970, THERMOCHEMISTRY ORGA
[7]  
DIJKMAN FG, 1978, THESIS U UTRECHT
[8]   CONSISTENT FORCE FIELD CALCULATIONS .3. VIBRATIONS, CONFORMATIONS, AND HEATS OF HYDROGENATION OF NONCONJUGATED OLEFINS [J].
ERMER, O ;
LIFSON, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (13) :4121-4132
[9]  
ESPINOSAMULLER AW, 1982, J MOL STRUC-THEOCHEM, V90, P203
[10]  
Espinoza-Muller A.W., 1982, J MOL STRUC-THEOCHEM, V90, P187