ABINITIO MO CALCULATION OF FORCE-CONSTANTS AND DIPOLE DERIVATIVES FOR FORMAMIDE

被引：63

作者：

SUGAWARA, Y ^{[1
]}

HAMADA, Y ^{[1
]}

HIRAKAWA, AY ^{[1
]}

TSUBOI, M ^{[1
]}

KATO, S ^{[1
]}

MOROKUMA, K ^{[1
]}

机构：

[1] INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN

来源：

CHEMICAL PHYSICS | 1980年 / 50卷 / 01期

关键词：

D O I：

10.1016/0301-0104(80)87029-7

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：105 / 111

页数：7

共 14 条

[1] IS FORMAMIDE PLANAR OR NONPLANAR [J].

CARLSEN, NR ;

RADOM, L ;

RIGGS, NV ;

RODWELL, WR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (08) :2233-2234

[2] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[3]

DUNNING TH, 1977, METHODS ELECTRONIC S, pCH1

[4] ABSORPTION SPECTRUM OF FORMAMIDE VAPOR IN THE 2700-3700 CM-1 REGION [J].

EVANS, JC .

JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (05) :1435-1436

[5] INFRARED SPECTRUM AND THERMODYNAMIC FUNCTIONS OF FORMAMIDE [J].

EVANS, JC .

JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (07) :1228-1234

[6] MOLECULAR-STRUCTURE AND INTERNAL MOTION OF FORMAMIDE FROM MICROWAVE-SPECTRUM [J].

HIROTA, E ;

SUGISAKI, R ;

NIELSEN, CJ ;

SORENSEN, GO .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1974, 49 (02) :251-267

[7] INFRARED STUDY OF NH2 INVERSION VIBRATION FOR FORMAMIDE IN VAPOR PHASE AND IN AN ARGON MATRIX [J].

KING, ST .

JOURNAL OF PHYSICAL CHEMISTRY, 1971, 75 (03) :405-&

[8] EFFICIENT DETERMINATION AND CHARACTERIZATION OF TRANSITION-STATES USING ABINITIO METHODS [J].

KOMORNICKI, A ;

ISHIDA, K ;

MOROKUMA, K ;

DITCHFIELD, R ;

CONRAD, M .

CHEMICAL PHYSICS LETTERS, 1977, 45 (03) :595-602

[9] MICROWAVE SPECTRUM, STRUCTURE, DIPOLE MOMENT, AND QUADRUPOLE COUPLIN CONSTANTS OF FORMAMIDE [J].

KURLAND, RJ ;

WILSON, EB .

JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (02) :585-590

[10]

MOROKUMA K, UNPUBLISHED

← 1 2 →