ABINITIO STUDY OF ACID-BASE INTERACTIONS - PROTON, LITHIUM, AND SODIUM AFFINITIES OF 1ST-ROW AND 2ND-ROW BASES

被引：151

作者：

SMITH, SF ^{[1
]}

CHANDRASEKHAR, J ^{[1
]}

JORGENSEN, WL ^{[1
]}

机构：

[1] PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 17期

关键词：

D O I：

10.1021/j100214a010

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：3308 / 3318

页数：11

共 73 条

[1]

ABRAHAM FF, 1976, J CHEM SOC F2, P34

[2]

[Anonymous], TOPICS CURR CHEM

[3]

[Anonymous], COMMUNICATION

[4]

AUE DH, 1979, GAS PHASE ION CHEM, V2, P1

[5] ION CYCLOTRON RESONANCE SPECTROSCOPY [J].

BEAUCHAM.JL .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1971, 22 :527-&

[6] PI-DONATING ABILITIES OF SULFUR AND OXYGEN - COMPARATIVE QUANTUM CHEMICAL INVESTIGATION OF STATIC AND DYNAMIC PROPERTIES AND GAS-PHASE ACIDITIES OF +CH2OH AND +CH2SH [J].

BERNARDI, F ;

CSIZMADIA, IG ;

SCHLEGEL, HB ;

WOLFE, S .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1975, 53 (08) :1144-1153

[7]

BERTHOD H, 1980, ISRAEL J CHEM, V19, P299

[8] ON THE AFFINITIES OF AMMONIA AND WATER FOR LI+, NA+ AND K+ [J].

BERTHOD, H ;

PULLMAN, A .

CHEMICAL PHYSICS LETTERS, 1980, 70 (03) :434-437

[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[10] INTEGRATED SPATIAL ELECTRON POPULATIONS IN MOLECULES - APPLICATION TO SIMPLE MOLECULES [J].

COLLINS, JB ;

STREITWIESER, A .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1980, 1 (01) :81-87

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