CALCULATION OF THE INPLANE FORCE-CONSTANTS AND VIBRATIONAL-SPECTRA OF PYRIDINE AND ITS DEUTERATED DERIVATIVES BY THE CNDO-2 FORCE METHOD

被引：28

作者：

HARSANYI, L ^{[1
]}

KILAR, F ^{[1
]}

机构：

[1] EOTVOS LORAND UNIV,DEPT PLANT PATHOL,H-1088 BUDAPEST,HUNGARY

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1980年 / 65卷 / AUG期

关键词：

D O I：

10.1016/0022-2860(80)85186-6

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：141 / 152

页数：12

共 24 条

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[7]

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[8] SEMIEMPIRICAL CALCULATION OF HARMONIC FORCE CONSTANTS - CNDO-2 AND MINDO-2 STUDY OF C2H6, C2H4 AND C2H2 [J].

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[9] SPECTROSCOPIC AND THERMODYNAMIC STUDIES OF PYRIDINE COMPOUNDS .2. NORMAL CO-ORDINATE CALCULATIONS FOR PYRIDINE AND PYRIDINE-D5 [J].

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