CALCULATION OF THE VIBRATIONAL-SPECTRA OF CYTOSINE DERIVATIVES BY THE CNDO/2 FORCE METHOD .2. PLANAR VIBRATIONS OF 5-FLUOROCYTOSINE

被引：15

作者：

KUCZERA, K ^{[1
]}

SZCZESNIAK, M ^{[1
]}

SZCZEPANIAK, K ^{[1
]}

机构：

[1] UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1988年 / 172卷

关键词：

D O I：

10.1016/0022-2860(88)87008-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

收藏

页码：89 / 99

页数：11

相关论文

共 29 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
BLOM, CE
OTTO, LP
ALTONA, C
[J]. MOLECULAR PHYSICS, 1976, 32 (04) : 1137 - 1149
[2] BUGG CE, 1974, JERUSALEM S QUANTUM, V7, P473
[3] MATRIX-ISOLATION STUDIES OF NUCLEIC-ACID CONSTITUENTS .2. QUANTITATIVE ABINITIO PREDICTION OF THE INFRARED-SPECTRUM OF INPLANE MODES OF URACIL
CHIN, S
SCOTT, I
SZCZEPANIAK, K
PERSON, WB
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (12) : 3415 - 3422
[4] VIBRATIONAL FORCE-FIELD OF HALOGENATED AROMATIC-MOLECULES - IN-PLANE VIBRATIONS OF BENZENE AND FLUOROBENZENES
EATON, VJ
STEELE, D
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 48 (03) : 446 - 458
[5] PREDICTION OF VIBRATIONAL-SPECTRA BY CNDO-2 FORCE METHOD .3. IN-PLANE VIBRATIONS OF BENZENE
FOGARASI, G
PULAY, P
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1977, 39 (02) : 275 - 280
[6] HARSANYI L, 1983, ACTA CHIM HUNG, V113, P257
[7] HARSANYI L, 1980, J MOL STRUCT, V65, P41
[8] HARSANYI L, 1983, J MOL STRUC-THEOCHEM, V104, P79
[9] ALTERNATIVE CALCULATION OF VIBRATIONAL POTENTIAL ENERGY DISTRIBUTION
KERESZTURY, G
JALSOVSZKY, G
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1971, 10 (02) : 304 - +
[10] KOHLER HJ, 1984, J MOL STRUCT, V108, P299