AN ABINITIO STUDY OF THE HARMONIC AND ANHARMONIC-FORCE FIELD AND FUNDAMENTAL VIBRATIONAL FREQUENCIES OF PERFORMIC ACID

被引：23

作者：

BOCK, CW ^{[1
]}

TRACHTMAN, M ^{[1
]}

GEORGE, P ^{[1
]}

机构：

[1] UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19147

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1980年 / 84卷 / 01期

关键词：

D O I：

10.1016/0022-2852(80)90258-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

引用

页码：256 / 271

页数：16

共 41 条

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[2] BJARNOV E, 1978, Z NATURFORSCH A, V33, P610
[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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ALTONA, C
[J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1377 - 1391
[4] APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .6. DIMETHYLETHER - GENERAL VALENCE FORCE-FIELD SCALED ON EXPERIMENTAL FREQUENCIES, IR AND RAMAN INTENSITIES
BLOM, CE
ALTONA, C
OSKAM, A
[J]. MOLECULAR PHYSICS, 1977, 34 (02) : 557 - 571
[5] APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .4. FORCE CONSTANTS OF PROPENE SCALED ON EXPERIMENTAL FREQUENCIES
BLOM, CE
ALTONA, C
[J]. MOLECULAR PHYSICS, 1977, 33 (03) : 875 - 885
[6] APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .5. ETHENE - GENERAL VALENCE FORCE-FIELD SCALED ON HARMONIC AND ANHARMONIC DATA, IR AND RAMAN INTENSITIES
BLOM, CE
ALTONA, C
[J]. MOLECULAR PHYSICS, 1977, 34 (01) : 177 - 192
[7] ABINITIO STUDY OF THE GEOMETRIES, ANHARMONIC-FORCE FIELDS AND FUNDAMENTAL VIBRATION FREQUENCIES OF CIS-FORMIC AND TRANS-FORMIC ACID
BOCK, CW
TRACHTMAN, M
GEORGE, P
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1980, 80 (01) : 131 - 144
[8] ABINITIO STUDY OF THE IN-PLANE HARMONIC FORCE-FIELD AND FREQUENCIES OF CIS-GLYOXAL AND TRANS-GLYOXAL
BOCK, CW
GEORGE, P
TRACHTMAN, M
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1979, 78 (02) : 248 - 256
[9] ABINITIO STUDY OF THE STRUCTURE, IN-PLANE HARMONIC FORCE-FIELD, AND FUNDAMENTAL VIBRATION FREQUENCIES OF CIS-ACROLEIN AND TRANS-ACROLEIN
BOCK, CW
GEORGE, P
TRACHTMAN, M
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1979, 78 (02) : 298 - 308
[10] BOCK CW, J MOL STRUCT

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