SCALED QUANTUM-MECHANICAL CALCULATIONS OF THE VIBRATIONAL STRUCTURE OF THIIRANE, THIIRENE, AND THEIR DEUTERATED ISOTOPOMERS

被引：9

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 | 1988年 / 125卷 / 01期

关键词：

D O I：

10.1016/0301-0104(88)85008-0

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：77 / 87

页数：11

共 14 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 [J].

ALLEN, WD ;

BERTIE, JE ;

FALK, MV ;

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MAST, GB ;

OTHEN, DA ;

SCHAAD, LJ ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (08) :4211-4227

[2] SCALED QUANTUM-MECHANICAL CALCULATION OF THE VIBRATIONAL STRUCTURE OF METHYLTHIIRANE [J].

ALPER, JS ;

LOWE, MA .

CHEMICAL PHYSICS, 1988, 121 (02) :189-197

[3]

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[4]

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[5]

BINKLEY JS, 1986, GAUSSIAN 82

[6] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .1. EQUILIBRIUM STRUCTURE AND FORCE CONSTANTS OF HYDROCARBONS [J].

BLOM, CE ;

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ALTONA, C .

MOLECULAR PHYSICS, 1976, 31 (05) :1359-1376

[7]

FOGARASI G, 1984, ANNU REV PHYS CHEM, V35, P191

[8] SCALED ABINITIO FORCE-FIELDS FOR ETHYLENE-OXIDE AND PROPYLENE-OXIDE [J].

LOWE, MA ;

ALPER, JS ;

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[9]

LOWE MA, IN PRESS J PHYS CHEM

[10]

MCINTOSH DF, 1981, QCPE, V13, P401

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