ABINITIO MO CALCULATION OF THE ANHARMONIC-FORCE FIELD OF METHYL-FLUORIDE AND METHYL-CHLORIDE

被引:49
作者
KONDO, S
KOGA, Y
NAKANAGA, T
机构
关键词
D O I
10.1063/1.447871
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 ;
摘要
引用
收藏
页码:1951 / 1959
页数:9
相关论文
共 57 条
[51]   EXACT SOLUTION (WITHIN A DOUBLE-ZETA BASIS SET) OF THE SCHRODINGER ELECTRONIC EQUATION FOR WATER [J].
SAXE, P ;
SCHAEFER, HF ;
HANDY, NC .
CHEMICAL PHYSICS LETTERS, 1981, 79 (02) :202-204
[52]  
SCHLEGEL HB, 1977, J CHEM PHYS, V67, P4194, DOI 10.1063/1.435398
[53]   VIBRATION-ROTATION SPECTRA OF CH3F [J].
SMITH, WL ;
MILLS, IM .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1963, 11 (01) :11-&
[54]   FORCE-FIELD IN THE HYDRAZINE MOLECULE FROM ABINITIO MO CALCULATION [J].
TANAKA, N ;
HAMADA, Y ;
SUGAWARA, Y ;
TSUBOI, M ;
KATO, S ;
MOROKUMA, K .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 99 (02) :245-262
[55]   MICROWAVE-SPECTRUM OF METHYL-FLUORIDE IN EXCITED VIBRATIONAL-STATES - CORIOLIS INTERACTION AND ANOMALOUS L-DOUBLING TRANSITIONS [J].
TANAKA, T ;
HIROTA, E .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 54 (03) :437-446
[56]   LASER STARK SPECTROSCOPY IN 9.4-MUM REGION - V2 AND V5 BANDS OF METHYL CHLORIDE-D3 [J].
YAMADA, C ;
HIROTA, E .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1977, 64 (01) :31-46
[57]  
[No title captured]