THEORETICAL-STUDY OF THE GROUND-STATE VIBRATIONS OF THE LINEAR POLYENES

被引：66

作者：

HEMLEY, RJ ^{[1
]}

BROOKS, BR ^{[1
]}

KARPLUS, M ^{[1
]}

机构：

[1] HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 85卷 / 11期

关键词：

D O I：

10.1063/1.451437

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：6550 / 6564

页数：15

共 58 条

[1] ABSORPTION AND EMISSION OF 2,12-DIMETHYLTRIDECAHEXAENE
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KOHLER, BE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (01) : 4 - 9
[2] VIBRATIONAL-SPECTRA OF TRANS,TRANS-1,4-DIDEUTEROBUTA-1,3-DIENES CIS,CIS-1,4-DIDEUTEROBUTA-1,3-DIENES AND CIS,TRANS-1,4-DIDEUTEROBUTA-1,3-DIENES
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[3] 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
[4] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .1. EQUILIBRIUM STRUCTURE AND FORCE CONSTANTS OF HYDROCARBONS
BLOM, CE
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ALTONA, C
[J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1359 - 1376
[5] AN ABINITIO STUDY OF THE INPLANE HARMONIC FORCE-FIELDS AND FUNDAMENTAL VIBRATION FREQUENCIES OF CIS-1,3-BUTADIENE AND TRANS-1,3-BUTADIENE
BOCK, CW
TRACHTMAN, M
GEORGE, P
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1980, 84 (01) : 243 - 255
[6] REAPPRAISAL OF THE STRUCTURE OF THE 2ND STABLE CONFORMER OF BUTA-1,3-DIENE
BOCK, CW
GEORGE, P
TRACHTMAN, M
ZANGER, M
[J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1979, (01): : 26 - 34
[7] INFRARED AND RAMAN-SPECTRA OF FORMALDAZINE
BONDYBEY, VE
NIBLER, JW
[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1973, A 29 (04) : 645 - 658
[8] AB-INITIO CALCULATION OF FORCE-FIELD AND VIBRATIONAL FREQUENCIES OF H2CNH
BOTSCHWINA, P
[J]. CHEMICAL PHYSICS LETTERS, 1974, 29 (04) : 580 - 584
[9] UNRESTRICTED HARTREE-FOCK CALCULATION OF FORCE CONSTANTS AND VIBRATIONAL FREQUENCIES OF HCO RADICAL
BOTSCHWINA, P
[J]. CHEMICAL PHYSICS LETTERS, 1974, 29 (01) : 98 - 101
[10] DETERMINATION OF TORSIONAL POTENTIAL FUNCTION OF 1,3-BUTADIENE
CARREIRA, LA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (10) : 3851 - 3854

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