PROTON TRANSFERS IN HYDROGEN-BONDED SYSTEMS - ELECTRON CORRELATION-EFFECTS IN (H3NHOH2)+

被引：32

作者：

SCHEINER, S ^{[1
]}

HARDING, LB ^{[1
]}

机构：

[1] ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439

来源：

CHEMICAL PHYSICS LETTERS | 1981年 / 79卷 / 01期

关键词：

D O I：

10.1016/0009-2614(81)85283-9

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：39 / 42

页数：4

共 26 条

[1]

BOBROWICZ FW, UNPUBLISHED

[2]

BOBROWICZ FW, 1979, THESIS CALIFORNIA I

[3]

CALDIN E, 1975, PROTON TRANSFER REAC

[4] AB-INITIO LCAO-MO-SCF STUDY OF REACTION PATHS FOR PROTON-TRANSFER IN AMMONIUM AQUEOUS-SOLUTION [J].

DELPUECH, JJ ;

SERRATRICE, G ;

STRICH, A ;

VEILLARD, A .

MOLECULAR PHYSICS, 1975, 29 (03) :849-871

[5]

Dunning T., 1977, METHODS ELECT STRUCT, P1

[6]

Gershgorn Z., 1968, INT J QUANTUM CHEM, V2, P751

[7] DESCRIPTION OF CHEMICAL BONDING FROM ABINITIO CALCULATIONS [J].

GODDARD, WA ;

HARDING, LB .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1978, 29 :363-396

[8] GENERALIZED VALENCE BOND DESCRIPTION OF BONDING IN LOW-LYING STATES OF MOLECULES [J].

GODDARD, WA ;

DUNNING, TH ;

HUNT, WJ ;

HAY, PJ .

ACCOUNTS OF CHEMICAL RESEARCH, 1973, 6 (11) :368-376

[9] POLARIZATION CL WAVEFUNCTIONS - VALENCE STATES OF NH RADICAL [J].

HAY, PJ ;

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) :5077-5087

[10] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&

← 1 2 3 →