CNDO/2 FORCE CALCULATION OF THE VIBRATIONAL-SPECTRUM OF METHANOL

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KUCZERA, K
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O4 [物理学];
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页码:797 / 806
页数:10
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[1]  
ANNAMALAI A, 1982, J MOL STRUC-THEOCHEM, V87, P169, DOI DOI 10.1016/0166-1280(82)80051-1
[2]   INFRA-RED CRYOGENIC STUDIES .4. ISOTOPICALLY SUSBTITUTED METHANOLS IN ARGON MATRICES [J].
BARNES, AJ ;
HALLAM, HE .
TRANSACTIONS OF THE FARADAY SOCIETY, 1970, 66 (572) :1920-&
[3]   APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .3. EQUILIBRIUM STRUCTURE OF WATER, METHANOL AND DIMETHYL ETHER, GENERAL VALENCE FORCE-FIELD OF WATER AND METHANOL SCALED ON EXPERIMENTAL FREQUENCIES [J].
BLOM, CE ;
OTTO, LP ;
ALTONA, C .
MOLECULAR PHYSICS, 1976, 32 (04) :1137-1149
[4]   APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .4. FORCE CONSTANTS OF PROPENE SCALED ON EXPERIMENTAL FREQUENCIES [J].
BLOM, CE ;
ALTONA, C .
MOLECULAR PHYSICS, 1977, 33 (03) :875-885
[5]  
DUNCAN JL, 1975, MOL SPECTROSCOPY, V3
[6]  
FOGARASI G, 1980, J MOL STRUCT, V65, P41
[7]  
HARSANYI L, 1983, ACTA CHIM HUNG, V113, P257
[8]  
HARSANYI L, 1980, J MOL STRUCT, V65, P41
[9]   ALTERNATIVE CALCULATION OF VIBRATIONAL POTENTIAL ENERGY DISTRIBUTION [J].
KERESZTURY, G ;
JALSOVSZKY, G .
JOURNAL OF MOLECULAR STRUCTURE, 1971, 10 (02) :304-+
[10]   ABINITIO PREDICTION OF STRUCTURES, FORCE-CONSTANTS, AND VIBRATIONAL FREQUENCIES - THE SATURATED 3-MEMBERED RINGS CYCLOPROPANE, ETHYLENE-OXIDE, AND ETHYLENE IMINE [J].
KOMORNICKI, A ;
PAUZAT, F ;
ELLINGER, Y .
JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (20) :3847-3857