DECOMPOSITION OF NORMAL-COORDINATE VIBRATIONAL FREQUENCIES

被引：179

作者：

BOATZ, JA ^{[1
]}

GORDON, MS ^{[1
]}

机构：

[1] N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58105

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1989年 / 93卷 / 05期

关键词：

D O I：

10.1021/j100342a026

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：1819 / 1826

页数：8

共 33 条

[1] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[2]

BINKLEY JS, 1983, GAUSSIAN 82

[3] STRUCTURE AND BONDING IN CYCLOALKANES AND MONOSILACYCLOALKANES [J].

BOATZ, JA ;

GORDON, MS ;

HILDERBRANDT, RL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (02) :352-358

[4] ABINITIO STUDIES OF H-2POSH MOLECULES [J].

BOATZ, JA ;

GORDON, MS .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (03) :306-320

[5] THEORETICAL-STUDIES OF SILABICYCLOBUTANES AND SILACYCLOBUTENES, CNSI4-NH6 (N = 0-4) [J].

BOATZ, JA ;

GORDON, MS .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (11) :3037-3042

[6]

BOATZ JA, UNPUB

[7] AN ANALYSIS OF THE INFRARED AND RAMAN-SPECTRA OF THE FORMIC-ACID DIMER (HCOOH)2 [J].

CHANG, YT ;

YAMAGUCHI, Y ;

MILLER, WH ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (24) :7245-7253

[8] COMPLETE SETS AND REDUNDANCIES AMONG SMALL VIBRATIONAL COORDINATES [J].

DECIUS, JC .

JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (12) :1315-1318

[9]

Dupuis M., 1980, NRCC SOFTWARE CATALO, V1

[10] Some studies concerning rotating axes and polyatomic molecules [J].

Eckart, C .

PHYSICAL REVIEW, 1935, 47 (07) :552-558

← 1 2 3 4 →