CALCULATIONS OF THE INFRARED AND VIBRATIONAL CIRCULAR-DICHROISM SPECTRA OF ETHANOL AND ITS DEUTERATED ISOTOPOMERS

被引：25

作者：

DOTHE, H

LOWE, MA

ALPER, JS

机构：

[1] UNIV MASSACHUSETTS,DEPT CHEM,BOSTON,MA 02125

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

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1989年 / 93卷 / 18期

关键词：

D O I：

10.1021/j100355a013

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：6632 / 6637

页数：6

共 25 条

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[12]

KAWIECKI RW, UNPUB CHEM PHYS LETT

[13] ABINITIO CALCULATIONS OF VIBRATIONAL CIRCULAR-DICHROISM IN PROPYLENE-OXIDE - GEOMETRY AND FORCE-FIELD DEPENDENCE [J].

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ALPER, JS .

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

LOWE, MA ;

ALPER, JS ;

KAWIECKI, R ;

STEPHENS, PJ .

JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (01) :41-50

[15] THE THEORY OF VIBRATIONAL CIRCULAR-DICHROISM - TRANS-1,2-DIDEUTERIOCYCLOBUTANE AND PROPYLENE-OXIDE [J].

LOWE, MA ;

STEPHENS, PJ ;

SEGAL, GA .

CHEMICAL PHYSICS LETTERS, 1986, 123 (1-2) :108-116

[16]

MCINTOSH DF, QCPE

[17]

Murto J, 1984, J MOL STRUC-THEOCHEM, V108, P99

[18] VIBRATIONAL SPECTRA OF 12 ISOTOPIC SPECIES OF MONOMERIC ETHANOLS [J].

PERCHARD, JP ;

JOSIEN, ML .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1968, 65 (10) :1834-&

[19]

Pulay P., 1977, APPL ELECT STRUCTURE, P153

[20]

PULTZ VM, 1983, THESIS ANN ARBOR

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