AN ANALYSIS OF THE HARD-SOFT LEWIS ACID-BASE CONCEPT AND THE DRAGO EQUATION EMPLOYING ABINITIO MOLECULAR-ORBITAL THEORY

被引：14

作者：

DOUGLAS, J ^{[1
]}

KOLLMAN, P ^{[1
]}

机构：

[1] UNIV CALIF SAN FRANCISCO,SCH PHARM,DEPT PHARMACEUT CHEM,SAN FRANCISCO,CA 94143

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1981年 / 85卷 / 19期

关键词：

D O I：

10.1021/j150619a005

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

收藏

页码：2717 / 2722

页数：6

相关论文

共 26 条

[11] HEHRE WJ, QUANTUM CHEM PROGRAM, V236
[12] CHEMICAL REACTIVITY AND CONCEPT OF CHARGE- AND FRONTIER-CONTROLLED REACTIONS
KLOPMAN, G
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (02) : 223 - &
[13] GENERAL ANALYSIS OF NONCOVALENT INTERMOLECULAR INTERACTIONS
KOLLMAN, P
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) : 4875 - 4894
[14] THEORETICAL STUDIES OF BASICITY - PROTON AFFINITIES, LI+ AFFINITIES, AND H-BOND AFFINITIES OF SOME SIMPLE BASES
KOLLMAN, P
ROTHENBERG, S
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (05) : 1333 - 1342
[15] THEORETICAL STUDIES OF K+ AFFINITIES OF BASES - COMPARISON OF K+ AND LI+ AFFINITIES
KOLLMAN, P
[J]. CHEMICAL PHYSICS LETTERS, 1978, 55 (03) : 555 - 559
[16] JUSTIFICATION FOR E-AND-C EQUATION
MARKS, AP
DRAGO, RS
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (12) : 3324 - 3329
[17] ABINITIO, QUANTUM CHEMICAL-ANALYSIS OF NON-COVALENT INTERACTIONS BETWEEN PEPTIDES AS MODELED BY DIMERS AND A TRIMER OF FORMAMIDE
MEHLER, EL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (12) : 4051 - 4056
[18] MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS .3. C=O H-O HYDROGEN BOND IN H2CO H2O AND H2CO 2H2O
MOROKUMA, K
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (03) : 1236 - &
[19] Mulliken R.S., 1969, MOL COMPLEXES
[20] HARD AND SOFT ACIDS AND BASES
PEARSON, RG
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (22) : 3533 - &