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

被引：38

作者：

ALLEN, WD

BERTIE, JE

FALK, MV

HESS, BA

MAST, GB

OTHEN, DA

SCHAAD, LJ

SCHAEFER, HF

机构：

[1] VANDERBILT UNIV, DEPT CHEM, NASHVILLE, TN 37235 USA

[2] UNIV ALBERTA, DEPT CHEM, EDMONTON T6G 2G2, ALBERTA, CANADA

来源：

关键词：

D O I：

10.1063/1.450043

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：4211 / 4227

页数：17

共 61 条

[1] AB-INITIO LCAO-MO-SCF STUDY OF ELECTRONIC-STRUCTURE OF PHOSPHIRANE AND THIIRANE
ABSAR, I
SCHAAD, LJ
VANWAZER, JR
[J]. THEORETICA CHIMICA ACTA, 1973, 29 (02): : 173 - 181
[2] Aleksanyan V.T., 1971, J STRUCT CHEM, V12, P243, DOI [10.1007/BF00739108, DOI 10.1007/BF00739108]
[3] ALEKSANYAN VT, 1974, J STRUCT CHEM+, V15, P955
[4] ALLEN WD, 1983, THESIS VANDERBILT U
[5] [Anonymous], 1955, J CHEM PHYS, V23, P1997
[6] INFRARED AND RAMAN-SPECTRA OF POWDERED AND SINGLE-CRYSTAL BARIUM CHLORATE MONOHYDRATE AND MONODEUTERATE
BERTIE, JE
HEYNS, AM
OEHLER, O
[J]. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1973, 51 (14): : 2275 - 2289
[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
POPLE, JA
HEHRE, WJ
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) : 939 - 947
[8] BINKLEY JS, GAUSSIAN80
[9] THE MICROWAVE SPECTRA, STRUCTURE, AND DIPOLE MOMENTS OF ETHYLENE OXIDE AND ETHYLENE SULFIDE
BOYD, AW
MYERS, RJ
GWINN, WD
LEVAN, WI
[J]. JOURNAL OF CHEMICAL PHYSICS, 1951, 19 (06) : 676 - 685
[10] ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH
BROOKS, BR
LAIDIG, WD
SAXE, P
GODDARD, JD
YAMAGUCHI, Y
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (08) : 4652 - 4653