AN ABINITIO STUDY OF THE INFLUENCE OF SUBSTITUENTS AND INTRAMOLECULAR HYDROGEN-BONDING ON THE CARBONYL BOND LENGTH, AND THE HARMONIC AND ANHARMONIC STRETCHING FORCE-CONSTANTS .1. MONOSUBSTITUTED CARBONYL-COMPOUNDS

被引：14

作者：

BOCK, CW ^{[1
]}

TRACHTMAN, M ^{[1
]}

GEORGE, P ^{[1
]}

机构：

[1] UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104

来源：

CHEMICAL PHYSICS | 1981年 / 62卷 / 03期

关键词：

D O I：

10.1016/0301-0104(81)85126-9

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：303 / 318

页数：16

共 45 条

[1] SIMPLE MODEL OF HYDROGEN-BONDING
ALLEN, LC
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (24) : 6921 - 6940
[2] UNIVERSAL FORCE CONSTANT RELATIONSHIPS AND A DEFINITION OF ATOMIC RADIUS
ANDERSON, AB
PARR, RG
[J]. CHEMICAL PHYSICS LETTERS, 1971, 10 (03) : 293 - +
[3] A Relation Between Internuclear Distances and Bond Force Constants
Badger, Richard M.
[J]. JOURNAL OF CHEMICAL PHYSICS, 1934, 2 (03)
[4] Between the internuclear distances and force constants of molecules and its application to polyatomic molecules
Badger, RM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1935, 3 (11) : 710 - 714
[5] POLYATOMIC FORCE CONSTANTS FROM CHARGE-DENSITIES AND FIELD GRADIENTS
BARTLETT, RJ
PARR, RG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (12) : 5828 - 5837
[6] BJANOV E, 1978, Z NATURFORSCH A, V33, P610
[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] AN ABINITIO STUDY OF THE HARMONIC AND ANHARMONIC-FORCE FIELD AND FUNDAMENTAL VIBRATIONAL FREQUENCIES OF PERFORMIC ACID
BOCK, CW
TRACHTMAN, M
GEORGE, P
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1980, 84 (01) : 256 - 271
[9] AN ABINITIO STUDY OF THE INFLUENCE OF SUBSTITUENTS AND INTRAMOLECULAR HYDROGEN-BONDING ON THE CARBONYL BOND LENGTH AND STRETCHING FORCE-CONSTANT .1. MONOSUBSTITUTED CARBONYL-COMPOUNDS
BOCK, CW
TRACHTMAN, M
GEORGE, P
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1981, 2 (01) : 30 - 37
[10] MICROWAVE SPECTRUM AND MOLECULAR STRUCTURE OF TRANS-ACROLEIN
CHERNIAK, EA
COSTAIN, CC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (01) : 104 - &

← 1 2 3 4 5 →