DVM X-ALPHA-CALCULATIONS ON THE ELECTRONIC-STRUCTURE OF COMPLEX CHLORINE ANIONS

被引:47
作者
GUTSEV, GL [1 ]
BOLDYREV, AI [1 ]
机构
[1] ACAD SCI USSR,INST NEW CHEM PROBLEMS,CHERNOGOLOVKA,USSR
关键词
D O I
10.1016/0009-2614(81)80362-4
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:352 / 355
页数:4
相关论文
共 5 条
[1]   SIMPLE BASIS SET FOR MOLECULAR WAVE-FUNCTIONS CONTAINING 3RD-ROW ATOMS [J].
CLEMENTI, E ;
MATCHA, R ;
VEILLARD, A .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (05) :1865-&
[2]   DVM-X-ALPHA CALCULATIONS ON THE IONIZATION-POTENTIALS OF MX-(K+1) COMPLEX ANIONS AND THE ELECTRON-AFFINITIES OF MXK+1 SUPERHALOGENS [J].
GUTSEV, GL ;
BOLDYREV, AI .
CHEMICAL PHYSICS, 1981, 56 (03) :277-283
[3]   SCF DVM-X-ALPHA WITH BASIS SET OF NUMERICAL HARTREE-FOCK FUNCTIONS AND ITS APPLICATIONS TO MOF6, WF6, AND UF6 [J].
GUTSEV, GL ;
LEVIN, AA .
CHEMICAL PHYSICS, 1980, 51 (03) :459-471
[4]  
Krasnov K.S., 1979, MOL CONSTANTS INORGA
[5]   COMPARISON OF THE CRYSTAL-STRUCTURES OF ALKALINE (M=LI,NA,K,RB,CS) AND PSEUDO-ALKALINE (M=NO,NH4) TETRACHLOROALUMINATES, MALCL4 [J].
MAIRESSE, G ;
BARBIER, P ;
WIGNACOURT, JP .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1979, 35 (JUL) :1573-1580