STRUCTURE AND HARMONIC VIBRATIONAL FREQUENCIES OF THE CARBON SUBOXIDE MOLECULE USING ANALYTIC DERIVATIVE METHODS

被引：32

作者：

AMOS, RD

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1984年 / 108卷 / 04期

关键词：

D O I：

10.1016/0009-2614(84)85204-5

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：347 / 352

页数：6

相关论文

共 41 条

[1] PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS
ALMLOF, J
FAEGRI, K
KORSELL, K
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) : 385 - 399
[2] DIPOLE-MOMENT DERIVATIVES OF H2O AND H2S
AMOS, RD
[J]. CHEMICAL PHYSICS LETTERS, 1984, 108 (02) : 185 - 190
[3] AMOS RD, CCP1844 SCI ENG RES
[4] A NEW EFFICIENT METHOD FOR LOCATING SADDLE POINTS
BELL, S
CRIGHTON, JS
FLETCHER, R
[J]. CHEMICAL PHYSICS LETTERS, 1981, 82 (01) : 122 - 126
[5] CARBON SUBOXIDE AS A SEMI-RIGID BENDER
BUNKER, PR
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1980, 80 (02) : 422 - 437
[6] ANALYTICAL FORCE-CONSTANTS FOR MCSCF WAVE-FUNCTIONS
CAMP, RN
KING, HF
MCIVER, JW
MULLALLY, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (02) : 1088 - 1089
[7] ON FINDING TRANSITION-STATES
CERJAN, CJ
MILLER, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (06) : 2800 - 2806
[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 716 - +
[9] MOLECULAR SYMMETRY AND CLOSED-SHELL SCF CALCULATIONS .1.
DUPUIS, M
KING, HF
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 11 (04) : 613 - 625
[10] MOLECULAR SYMMETRY .2. GRADIENT OF ELECTRONIC-ENERGY WITH RESPECT TO NUCLEAR COORDINATES
DUPUIS, M
KING, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (09) : 3998 - 4004

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