FORCE-FIELD, DIPOLE-MOMENT DERIVATIVES, AND VIBRONIC CONSTANTS OF BENZENE FROM A COMBINATION OF EXPERIMENTAL AND ABINITIO QUANTUM CHEMICAL INFORMATION

被引：481

作者：

PULAY, P ^{[1
]}

FOGARASI, G ^{[1
]}

BOGGS, JE ^{[1
]}

机构：

[1] UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 74卷 / 07期

关键词：

D O I：

10.1063/1.441580

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

页码：3999 / 4014

页数：16

共 98 条

[1] ALBRECHT AC, 1960, J MOL SPECTROSC, V5, P238
[2] Jahn-Teller effect in the vibrational structure of the photoelectron spectrum of benzene
Asbrink, L.
Lindholm, E.
Edqvist, O.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 5 (09) : 609 - 612
[3] Structure of benzene part IV Infra-red absorption spectra of benzene and hexadeuterobenzene both as vapour and as liquid
Bailey, CR
Hale, JB
Ingold, CK
Thompson, JW
[J]. JOURNAL OF THE CHEMICAL SOCIETY, 1936, : 931 - 941
[4] BELL RP, 1945, T FARADAY SOC, V41, P293
[5] BLEICHER W, 1974, MOL PHYS, V30, P1029
[6] 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
BLOM, CE
OTTO, LP
ALTONA, C
[J]. MOLECULAR PHYSICS, 1976, 32 (04) : 1137 - 1149
[7] STUDY ON GVFF OF CHF3, CH2F2, AND CH3F
BLOM, CE
MULLER, A
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1978, 70 (03) : 449 - 458
[8] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE
BLOM, CE
ALTONA, C
[J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1377 - 1391
[9] APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .6. DIMETHYLETHER - GENERAL VALENCE FORCE-FIELD SCALED ON EXPERIMENTAL FREQUENCIES, IR AND RAMAN INTENSITIES
BLOM, CE
ALTONA, C
OSKAM, A
[J]. MOLECULAR PHYSICS, 1977, 34 (02) : 557 - 571
[10] APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .4. FORCE CONSTANTS OF PROPENE SCALED ON EXPERIMENTAL FREQUENCIES
BLOM, CE
ALTONA, C
[J]. MOLECULAR PHYSICS, 1977, 33 (03) : 875 - 885

← 1 2 3 4 5 6 7 8 9 10 →