SCF-CI STUDIES OF CORRELATION EFFECTS ON HYDROGEN-BONDING AND ION HYDRATION - SYSTEMS - H2O,H+ . H2O, LI+ . H2O, F- . H2O, AND H2O . H2O

被引：380
作者：
DIERCKSEN, GHF
KRAEMER, WP
ROOS, BO
机构：
[1] UNIV STOCKHOLM, INST THEORET PHYS, STOCKHOLM, SWEDEN
[2] MAX PLANCK INST PHYSIK & ASTROPHYSFOHRINGER RING 6, POSTFACH 401212, D-8000 MUNICH 40, FED REP GER
来源：
THEORETICA CHIMICA ACTA | 1975年 / 36卷 / 04期
关键词：
D O I：
10.1007/BF00549690
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：249 / 274
页数：26
相关论文
共 71 条
[1]   STUDIES IN MOLECULAR DYNAMICS .2. BEHAVIOR OF A SMALL NUMBER OF ELASTIC SPHERES [J].
ALDER, BJ ;
WAINWRIGHT, TE .
JOURNAL OF CHEMICAL PHYSICS, 1960, 33 (05) :1439-1451
[2]   HYDROGEN-BOND STUDIES .66. AB-INITIO STUDIES OF CONFORMATION OF OXONIUM ION IN SOLIDS [J].
ALMLOF, J ;
WAHLGREN, U .
THEORETICA CHIMICA ACTA, 1973, 28 (02) :161-168
[3]  
ALMLOF J, PRIVATE COMMUNICATIO
[4]   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-&
[5]   THEORETICAL INVESTIGATION OF H3O+ [J].
BISHOP, DM .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (12) :4453-&
[6]   SEMIEMPIRICAL DETERMINATION OF HYDROGEN BOND ENERGY FOR WATER CLUSTERS IN VAPOR PHASE .I. GENERAL THEORY AND APPLICATION TO DIMER [J].
BOLANDER, RW ;
KASSNER, JL ;
ZUNG, JT .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (10) :4402-&
[7]   AB-INITIO, SEMIEMPIRICAL, AND CLASSICAL CALCULATIONS OF SIMPLE HYDRATED IONS [J].
BREITSCHWERDT, KG ;
KISTENMACHER, H .
CHEMICAL PHYSICS LETTERS, 1972, 14 (02) :288-+
[8]   PROTON AFFINITY OF WATER [J].
CHONG, SL ;
FRANKLIN, JL ;
MYERS, RA .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2427-&
[9]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&
[10]   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-&
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