ABINITIO THEORETICAL-STUDY OF BINDING OF ZNII WITH BIOLOGICALLY SIGNIFICANT LIGANDS - CO2, H2O, OH-, IMIDAZOLE, AND IMIDAZOLATE

被引:80
作者
DEMOULIN, D
PULLMAN, A
机构
来源
THEORETICA CHIMICA ACTA | 1978年 / 49卷 / 02期
关键词
D O I
10.1007/BF02399065
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:161 / 181
页数:21
相关论文
共 59 条
[21]   AB-INITIO MOLECULAR-ORBITAL CALCULATIONS ON WATER CARBON DIOXIDE SYSTEM - MOLECULAR COMPLEXES [J].
JONSSON, B ;
KARLSTROM, G ;
WENNERSTROM, H .
CHEMICAL PHYSICS LETTERS, 1975, 30 (01) :58-59
[22]   STRUCTURE AND FUNCTION OF CARBONIC-ANHYDRASES - IMIDAZOLE BINDING TO HUMAN CARBONIC ANHYDRASE-B AND MECHANISM OF ACTION OF CARBONIC-ANHYDRASES [J].
KANNAN, KK ;
PETEF, M ;
FRIDBORG, K ;
CIDDRESDNER, H ;
LOVGREN, S .
FEBS LETTERS, 1977, 73 (01) :115-119
[23]  
KANNAN KK, COMMUNICATION
[24]   STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .5. HEAT OF FORMATION FOR LI+,NA+,K+,F-, AND CL- ION COMPLEXES WITH A SINGLE WATER MOLECULE [J].
KISTENMACHER, H ;
POPKIE, H ;
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) :5842-5848
[25]   NEW ENERGY DECOMPOSITION SCHEME FOR MOLECULAR-INTERACTIONS WITHIN HARTREE-FOCK APPROXIMATION [J].
KITAURA, K ;
MOROKUMA, K .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (02) :325-340
[26]  
KOCHANSKI E, COMMUNICATION
[27]   GENERAL ANALYSIS OF NONCOVALENT INTERMOLECULAR INTERACTIONS [J].
KOLLMAN, P .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4875-4894
[28]  
KOLLMAN P, 1970, J AM CHEM SOC, V93, P4991
[29]   THEORY OF HYDROGEN-BOND DIRECTIONALITY [J].
KOLLMAN, PA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (06) :1837-&
[30]   THEORY OF HYDROGEN BOND - AB-INITIO CALCULATIONS ON HYDROGEN FLUORIDE DIMER AND MIXED WATER-HYDROGEN FLUORIDE DIMER [J].
KOLLMAN, PA ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5085-&