STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .5. HEAT OF FORMATION FOR LI+,NA+,K+,F-, AND CL- ION COMPLEXES WITH A SINGLE WATER MOLECULE

被引:288
作者
KISTENMACHER, H [1 ]
POPKIE, H [1 ]
CLEMENTI, E [1 ]
机构
[1] IBM CORP, RES LAB, SAN JOSE, CA 95193 USA
关键词
D O I
10.1063/1.1679952
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
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页码:5842 / 5848
页数:7
相关论文
共 16 条
[1]   HYDRATION OF HALIDE NEGATIVE IONS IN GAS PHASE .2. COMPARISON OF HYDRATION ENERGIES FOR ALKALI POSITIVE AND HALIDE NEGATIVE IONS [J].
ARSHADI, M ;
YAMDAGNI, R ;
KEBARLE, P .
JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (07) :1475-&
[2]   SCF-MO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE MOLECULE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (01) :33-&
[3]   STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .17. ANALYSIS OF FORMATION OF ACETYLENE, ETHYLENE, AND ETHANE MOLECULES IN HARTREE-FOCK MODEL [J].
CLEMENTI, E ;
POPKIE, H .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4870-&
[4]   STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION [J].
CLEMENTI, E ;
POPKIE, H .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) :1077-&
[5]  
CLEMENTI E, 1970, CHEMISTRY CYANO GROU, pCH1
[6]  
CLEMENTI E, 1971, PHYSICS ELECTRONIC A, V7
[7]   NEAR HARTREE-FOCK CALCULATIONS ON GROUND STATE OF WATER MOLECULE - ENERGIES, IONIZATION POTENTIALS, GEOMETRY, FORCE CONSTANTS, AND ONE-ELECTRON PROPERTIES [J].
DUNNING, TH ;
AUNG, S ;
PITZER, RM .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (12) :5044-+
[8]   ZERO-POINT VIBRATIONAL CORRECTIONS TO ONE-ELECTRON PROPERTIES OF WATER MOLECULE IN NEAR-HARTREE-FOCK LIMIT [J].
ERMLER, WC ;
KERN, CW .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4851-&
[9]  
GOMBAS P, 1968, INT QUANTUM CHEMISTR
[10]  
GOMBAS P, 1967, PSEUDOPOTENTIALE, V20