THE INTERCOMPARISON OF MOLECULAR-FORCE FIELDS FOR TRIATOMIC-MOLECULES

被引:11
作者
LACY, M
WHIFFEN, DH
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关键词
D O I
10.1080/00268978100101181
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:47 / 63
页数:17
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共 40 条
[1]  
Anderson A.B., 1972, J CHEM PHYS, V56, P4228, DOI [10.1063/1.1677841, DOI 10.1063/1.1677841]
[3]  
BARTLETT RJ, 1979, J CHEM PHYS, V71, P281, DOI 10.1063/1.438069
[4]  
Bezverkhnyaya G. I., 1975, Optics and Spectroscopy, V38, P604
[5]   AB-INITIO CALCULATIONS OF HARMONIC FORCE CONSTANTS .4. COMPARISON OF DIFFERENT METHODS [J].
BISHOP, DM ;
MACIAS, A .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (09) :3515-&
[6]   CARBON-DIOXIDE MOLECULE - POTENTIAL, SPECTROSCOPIC, AND MOLECULAR-CONSTANTS FROM ITS INFRARED-SPECTRUM [J].
CHEDIN, A .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1979, 76 (1-3) :430-491
[7]   GENERAL QUARTIC VALENCE FORCE-FIELD OF OCS [J].
DAVIS, KA ;
OVEREND, J .
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1976, 32 (02) :233-240
[8]   ZERO-POINT VIBRATIONAL CORRECTIONS TO ONE-ELECTRON PROPERTIES OF WATER MOLECULE IN NEAR-HARTREE-FOCK LIMIT [J].
ERMLER, WC ;
KERN, CW .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4851-&
[9]   PREDICTION OF VIBRATIONAL-SPECTRA BY CNDO-2 FORCE METHOD .3. IN-PLANE VIBRATIONS OF BENZENE [J].
FOGARASI, G ;
PULAY, P .
JOURNAL OF MOLECULAR STRUCTURE, 1977, 39 (02) :275-280
[10]   ANHARMONIC-FORCE FIELD FOR CARBONYL SULFIDE [J].
FOORD, A ;
SMITH, JG ;
WHIFFEN, DH .
MOLECULAR PHYSICS, 1975, 29 (06) :1685-1704