SCALED QUANTUM-MECHANICAL CALCULATION OF THE VIBRATIONAL STRUCTURE OF METHYLTHIIRANE

被引：15

作者：

ALPER, JS ^{[1
]}

LOWE, MA ^{[1
]}

机构：

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

来源：

CHEMICAL PHYSICS | 1988年 / 121卷 / 02期

关键词：

D O I：

10.1016/0301-0104(88)90027-4

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：189 / 197

页数：9

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
ALLEN, WD
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OTHEN, DA
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SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (08) : 4211 - 4227
[2] BENHEGYI G, 1982, J MOL STRUC-THEOCHEM, V89, P1
[3] BINKLEY JS, 1986, GAUSSIAN 82
[4] 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
BLOM, CE
ALTONA, C
[J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1377 - 1391
[5] 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
[6] 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
[7] CENTRIFUGAL-DISTORTION CONSTANTS AND STRUCTURAL PARAMETERS OF METHYL OXIRANE
CRESWELL, RA
SCHWENDEMAN, RH
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1977, 64 (02) : 295 - 301
[8] FOGARASI G, 1984, ANNU REV PHYS CHEM, V35, P191
[9] LOWE M, UNPUB
[10] SCALED ABINITIO FORCE-FIELDS FOR ETHYLENE-OXIDE AND PROPYLENE-OXIDE
LOWE, MA
ALPER, JS
KAWIECKI, R
STEPHENS, PJ
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (01) : 41 - 50

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