ROTATIONAL-ISOMERISM AS STUDIED BY NUCLEAR-QUADRUPOLE COUPLING - THEORETICAL AND EXPERIMENTAL N-14-CHI TENSORS FOR HYDRAZINE, METHYLHYDRAZINE, AND 1,2-DIMETHYLHYDRAZINE

被引：6

作者：

YAMANOUCHI, K ^{[1
]}

SUGIE, M ^{[1
]}

TAKEO, H ^{[1
]}

MATSUMURA, C ^{[1
]}

KUCHITSU, K ^{[1
]}

机构：

[1] NATL CHEM LAB IND,YATABE,IBARAKI 305,JAPAN

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1985年 / 126卷 / JAN期

关键词：

D O I：

10.1016/0022-2860(85)80123-X

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：321 / 330

页数：10

共 18 条

[1] MOLECULAR-ORBITAL CONSTRAINED ELECTRON-DIFFRACTION STUDIES - CONFORMATIONAL BEHAVIOR OF 1,2-DIMETHYLHYDRAZINE [J].

CHIU, NS ;

SELLERS, HL ;

SCHAFER, L ;

KOHATA, K .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (20) :5883-5889

[2] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[3] CALCULATION OF NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS IN PYRAZOLE AND IMIDAZOLE FROM ABINITIO WAVEFUNCTIONS [J].

HA, TK .

CHEMICAL PHYSICS LETTERS, 1976, 37 (02) :315-318

[4]

HA TK, 1984, CHEM PHYS LETT, V107, P117

[5] FORCE-FIELD IN THE METHYLAMINE MOLECULE FROM ABINITIO MO CALCULATION [J].

HAMADA, Y ;

TANAKA, N ;

SUGAWARA, Y ;

HIRAKAWA, AY ;

TSUBOI, M ;

KATO, S ;

MOROKUMA, K .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1982, 96 (02) :313-330

[6] MICROWAVE-SPECTRUM OF N2D4, N-14 QUADRUPOLE COUPLING-CONSTANTS, AND BARRIER TO INVERSION OF AMINO GROUP [J].

HARMONY, MD ;

BARON, PA .

JOURNAL OF MOLECULAR STRUCTURE, 1977, 38 (MAY) :1-8

[7]

Kasuya T, 1962, SCI PAP I PHYS CHEM, V56, P1

[8] NUMERICAL-INTEGRATION USING RYS POLYNOMIALS [J].

KING, HF ;

DUPUIS, M .

JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 21 (02) :144-165

[9] NON-EMPIRICAL INTERPRETATION OF NITROGEN 14 NUCLEAR QUADRUPOLE COUPLING CONSTANTS [J].

KOCHANSK.E ;

LEHN, JM ;

LEVY, B .

THEORETICA CHIMICA ACTA, 1971, 22 (02) :111-+

[10] MOLECULAR-STRUCTURE OF HYDRAZINE AS STUDIED BY GAS ELECTRON-DIFFRACTION [J].

KOHATA, K ;

FUKUYAMA, T ;

KUCHITSU, K .

JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (05) :602-606

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