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

[1]

BERNAL JD, 1959, HYDROGEN BONDING, P8

[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 [J].

BLOM, CE ;

ALTONA, C .

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 [J].

BLOM, CE ;

ALTONA, C ;

OSKAM, A .

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 [J].

BLOM, CE ;

ALTONA, C .

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 [J].

BLOM, CE ;

ALTONA, C .

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 [J].

BOCK, CW ;

TRACHTMAN, M ;

GEORGE, P .

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 [J].

BOCK, CW ;

GEORGE, P ;

TRACHTMAN, M .

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 [J].

BOCK, CW ;

GEORGE, P ;

TRACHTMAN, M .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1979, 78 (02) :298-308

[10]

BOCK CW, J MOL STRUCT

← 1 2 3 4 5 →