COMPARISON OF ABINITIO AND SCALED QUANTUM-MECHANICAL METHODS FOR THE CALCULATION OF VIBRATIONAL STRUCTURE - A REPLY

被引：5

作者：

ALPER, JS ^{[1
]}

DOTHE, H ^{[1
]}

LOWE, MA ^{[1
]}

机构：

[1] BOSTON UNIV,DEPT CHEM,BOSTON,MA 02215

来源：

CHEMICAL PHYSICS LETTERS | 1989年 / 163卷 / 06期

关键词：

D O I：

10.1016/0009-2614(89)85189-9

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：571 / 575

页数：5

共 12 条

[1] THE EXPERIMENTAL VIBRATIONAL-SPECTRA, VIBRATIONAL ASSIGNMENT, AND NORMAL COORDINATE ANALYSIS OF THIIRANE-H4 AND THIIRANE-D4 AND CIS-1,2-DIDEUTERIOTHIIRANE AND TRANS-1,2-DIDEUTERIOTHIIRANE - ABINITIO THEORETICAL IR-SPECTRA OF THIIRANE, THIIRENE, AND ISOTOPICALLY SUBSTITUTED DERIVATIVESI
ALLEN, WD
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (08) : 4211 - 4227
[2] SCALED QUANTUM-MECHANICAL CALCULATION OF THE VIBRATIONAL STRUCTURE OF METHYLTHIIRANE
ALPER, JS
LOWE, MA
[J]. CHEMICAL PHYSICS, 1988, 121 (02) : 189 - 197
[3] SCALED QUANTUM-MECHANICAL CALCULATIONS OF THE VIBRATIONAL STRUCTURE OF THIIRANE, THIIRENE, AND THEIR DEUTERATED ISOTOPOMERS
ALPER, JS
DOTHE, H
LOWE, MA
[J]. CHEMICAL PHYSICS, 1988, 125 (01) : 77 - 87
[4] BENHEGYI G, 1982, J MOL STRUCT THEOCHE, V98, P1
[5] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE
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[J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1377 - 1391
[6] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .1. EQUILIBRIUM STRUCTURE AND FORCE CONSTANTS OF HYDROCARBONS
BLOM, CE
SLINGERLAND, PJ
ALTONA, C
[J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1359 - 1376
[7] COUNTER OBSERVATIONS ON THE PRACTICE OF SCALING INDIVIDUAL ABINITIO FORCE-CONSTANTS - VIBRATIONAL-SPECTRA OF METHYLTHIIRANE
BOSE, PK
POLAVARAPU, PL
[J]. CHEMICAL PHYSICS LETTERS, 1988, 152 (01) : 39 - 43
[8] DOTHE H, IN PRESS J PHYS CHEM
[9] FOGARASI G, 1984, ANNU REV PHYS CHEM, V35, P191
[10] ANALYTIC RAMAN INTENSITIES FROM MOLECULAR ELECTRONIC WAVE-FUNCTIONS
FRISCH, MJ
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SCHAEFER, HF
BINKLEY, JS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (01) : 531 - 532

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