RIGID BENDER MODEL FOR THE OUT-OF-PLANE VIBRATIONS OF CS AND C2V TETRA-ATOMIC MOLECULES

被引:10
作者
CLOUTHIER, DJ [1 ]
GODDARD, JD [1 ]
机构
[1] NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
关键词
D O I
10.1063/1.442850
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:5034 / 5038
页数:5
相关论文
共 18 条
[1]   AB-INITIO CALCULATIONS FOR GROUND AND LOW-LYING TRIPLET-STATES OF THIOFORMALDEHYDE [J].
BAIRD, NC ;
SWENSON, JR .
JOURNAL OF PHYSICAL CHEMISTRY, 1973, 77 (02) :277-280
[2]   NON-EMPIRICAL SCF AND CI STUDY OF GROUND AND EXCITED-STATES OF THIOFORMALDEHYDE [J].
BRUNA, PJ ;
PEYERIMHOFF, SD ;
BUENKER, RJ .
CHEMICAL PHYSICS, 1974, 3 (01) :35-53
[3]   COMBINED SCF AND CI METHOD FOR CALCULATION OF ELECTRONICALLY EXCITED STATES MOLECULES - POTENTIAL CURVES FOR LOW-LYING STATES OF FORMALDEHYDE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (04) :1368-+
[4]   THE MOLECULAR-STRUCTURE OF SELENOCARBONYL AND THIOCARBONYL DIFLUORIDE [J].
CHRISTEN, D ;
OBERHAMMER, H ;
ZEIL, W ;
HAAS, A ;
DARMADI, A .
JOURNAL OF MOLECULAR STRUCTURE, 1980, 66 (SEP) :203-210
[5]   BARRIERS TO MOLECULAR INVERSION IN (NPI') CARBONYLS - CNDO INVESTIGATION [J].
CONDIRSTON, DA ;
MOULE, DC .
THEORETICA CHIMICA ACTA, 1973, 29 (02) :133-137
[6]   INVESTIGATION OF DOUBLE-MINIMUM POTENTIALS IN MOLECULES [J].
COON, JB ;
NAUGLE, NW ;
MCKENZIE, RD .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1966, 20 (02) :107-&
[7]   VIBRATIONAL FREQUENCIES OF THE GROUND AND LOWEST EXCITED TRIPLET-STATE OF THIOFORMALDEHYDE H-2, D2, AND HD [J].
GODDARD, JD ;
CLOUTHIER, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (10) :5039-5042
[8]  
Gradshteyn I. S., 1980, TABLES INTEGRALS SER, V4th
[9]   ROTATIONAL CONSTANTS AND GEOMETRICAL STRUCTURE OF 1A2 AND 3A2 STATES OF H2CO AND D2CO [J].
JONES, VT ;
COON, JB .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1969, 31 (01) :137-&
[10]   ABINITIO SCF-MO CALCULATIONS OF THE POTENTIAL SURFACES OF THIOCARBONYLS .2. H2CS, HFCS, CLFCS, AND CL2CS [J].
KAPUR, A ;
STEER, RP ;
MEZEY, PG .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (02) :745-748