FORCE-CONSTANT COMPUTATIONS IN CARTESIAN COORDINATES - ELIMINATION OF TRANSLATIONAL AND ROTATIONAL CONTRIBUTIONS

被引：54

作者：

WILLIAMS, IH

机构：

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1983年 / 11卷 / 3-4期

关键词：

D O I：

10.1016/0166-1280(83)80135-3

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：275 / 284

页数：10

共 28 条

[1] Structure of benzene part VIII Assignment of vibration of frequencies benzene and hexadeuterobenzene
Angus, WR
Bailey, CR
Hale, JB
Ingold, CK
Leckie, AH
Raisin, CG
Thompson, JW
Wilson, CL
[J]. JOURNAL OF THE CHEMICAL SOCIETY, 1936, : 971 - 987
[2] IR-SPECTRA OF MATRIX-ISOLATED WATER SPECIES .4. CONFIGURATION OF WATER DIMER IN ARGON MATRICES
AYERS, GP
PULLIN, ADE
[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1976, 32 (11) : 1695 - 1704
[3] VIBRATIONAL-SPECTRA AND STRUCTURES OF THE WATER DIMER AND TRIMER
BARNES, AJ
SUZUKI, S
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1981, 70 (JAN) : 301 - 303
[4] ABINITIO COMPUTATION OF FORCE CONSTANTS .6. APPLICATIONS OF FORCE RELAXATION METHOD FOR GEOMETRY OPTIMIZATION
BERNARDI, F
SCHLEGEL, HB
TONACHINI, G
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1978, 48 (02) : 243 - 248
[5] AB-INITIO CALCULATION OF VIBRATIONAL FORCE-FIELD OF WATER DIMER
CURTISS, LA
POPLE, JA
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 55 (1-3) : 1 - 14
[6] GROUND-STATES OF MOLECULES .37. MINDO-3 CALCULATIONS OF MOLECULAR VIBRATION FREQUENCIES
DEWAR, MJS
FORD, GP
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (06) : 1685 - 1691
[7] SEMI-EMPIRICAL CALCULATIONS OF MOLECULAR VIBRATIONAL FREQUENCIES - MNDO METHOD
DEWAR, MJS
FORD, GP
MCKEE, ML
RZEPA, HS
THIEL, W
YAMAGUCHI, Y
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1978, 43 (01) : 135 - 138
[8] FLANIGAN MC, 1977, MODERN THEORETICAL C, V8
[9] IR-SPECTRUM OF WATER DIMER IN SOLID NITROGEN .1. ASSIGNMENT AND FORCE-CONSTANT CALCULATIONS
FREDIN, L
NELANDER, B
RIBBEGARD, G
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (09) : 4065 - 4072
[10] NORMAL COORDINATES - GENERAL THEORY, REDUNDANT COORDINATES, AND GENERAL ANALYSIS USING ELECTRONIC COMPUTERS
GWINN, WD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 477 - &

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