ABINITIO CALCULATIONS OF VIBRATIONAL PROPERTIES OF SOME LINEAR TRIATOMIC-MOLECULES .2. ANHARMONIC-FORCE FIELDS

被引:22
作者
STEELE, D [1 ]
PERSON, WB [1 ]
BROWN, KG [1 ]
机构
[1] UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND
关键词
D O I
10.1021/j150614a011
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:2007 / 2012
页数:6
相关论文
共 30 条
[1]   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
[2]   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
[3]   ABINITIO STRETCHING FORCE CONSTANTS FOR HCCH, FCCH AND CICCH [J].
BOTSCHWINA, P ;
SRINIVASAN, K ;
MEYER, W .
MOLECULAR PHYSICS, 1978, 35 (04) :1177-1181
[4]   POTENTIAL-ENERGY FUNCTION OF NITROUS-OXIDE MOLECULE USING PURE VIBRATIONAL DATA [J].
CHEDIN, A ;
AMIOT, C ;
CIHLA, Z .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 63 (03) :348-369
[5]   VIBRATIONAL INTENSITIES .1. THEORY OF DIATOMIC INFRA-RED BANDS [J].
CRAWFORD, BL ;
DINSMORE, HL .
JOURNAL OF CHEMICAL PHYSICS, 1950, 18 (07) :983-987
[6]   ANHARMONIC-FORCE FIELD FOR CARBONYL SULFIDE [J].
FOORD, A ;
SMITH, JG ;
WHIFFEN, DH .
MOLECULAR PHYSICS, 1975, 29 (06) :1685-1704
[7]  
HEHRE WJ, 1971, 236 IND U QUANT CHEM
[8]   VIBRATION-ROTATION PROBLEM IN TRIATOMIC MOLECULES ALLOWING FOR A LARGE-AMPLITUDE BENDING VIBRATION [J].
HOUGEN, JT ;
BUNKER, PR ;
JOHNS, JWC .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1970, 34 (01) :136-&
[9]   THEORETICAL DIPOLE-MOMENT DERIVATIVES AND FORCE CONSTANTS FOR HCN [J].
LIU, B ;
SANDO, KM ;
NORTH, CS ;
FRIEDRICH, HB ;
CHIPMAN, DM .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (04) :1425-1428
[10]   PNO-CL AND CEPA STUDIES OF ELECTRON CORRELATION EFFECTS .3. SPECTROSCOPIC CONSTANTS AND DIPOLE-MOMENT FUNCTIONS FOR GROUND-STATES OF FIRST-ROW AND SECOND-ROW DIATOMIC HYDRIDES [J].
MEYER, W ;
ROSMUS, P .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (06) :2356-2375