THE ELECTRONIC-STRUCTURE OF CLO-3,BRO-3 AND IO-3 - AN SCF-X-ALPHA STUDY

被引:9
作者
ELISSA, BD
HINCHLIFFE, A
机构
关键词
D O I
10.1016/0022-2860(80)80377-2
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:317 / 321
页数:5
相关论文
共 12 条
[1]  
BORING M, 1974, J CHEM PHYS, V60, P4466
[2]   BONDING OF IONS PO43-, SO42-, CLO4-, CLO3- AND CO32- AS STUDIED BY X-RAY SPECTROSCOPY AND AB-INITIO SCF-MO CALCULATIONS [J].
CONNOR, JA ;
BARBER, M ;
SAUNDERS, VR ;
HILLIER, IH .
MOLECULAR PHYSICS, 1972, 23 (01) :81-+
[3]  
Johnson K. H., 1973, ADV QUANTUM CHEM, V7, P143
[4]   MOLECULAR-ORBITAL STUDIES OF TRANSITION-METAL AND NOBLE-METAL CLUSTERS BY SELF-CONSISTENT-FIELD CHIALPHA SCATTERED-WAVE METHOD [J].
MESSMER, RP ;
KNUDSON, SK ;
JOHNSON, KH ;
DIAMOND, JB ;
YANG, CY .
PHYSICAL REVIEW B, 1976, 13 (04) :1396-1415
[5]   LIGAND-FIELD TRANSITIONS IN PTCL2-4 CALCULATED BY SCF XALPHA SCATTERED-WAVE METHOD [J].
MESSMER, RP ;
WAHLGREN, U ;
JOHNSON, KH .
CHEMICAL PHYSICS LETTERS, 1973, 18 (01) :7-10
[6]   ELECTRONIC-STRUCTURE PATTERNS OF ISOELECTRONIC COMPOUNDS [J].
NEFEDOV, VI ;
BUSLAEV, YA ;
SERGUSHIN, NP ;
KOKUNOV, YV ;
KOVALEV, VV ;
BAYER, L .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1975, 6 (03) :221-229
[7]   SCF-XALPHA SCATTERED WAVE CALCULATION OF ELECTRONIC-STRUCTURE OF PT(PH3)2(O2) [J].
NORMAN, JG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (10) :3327-3328
[8]   OPTIMIZATION OF STATISTICAL EXCHANGE PARAMETER-ALPHA FOR FREE ATOMS H THROUGH NB [J].
SCHWARZ, K .
PHYSICAL REVIEW B-SOLID STATE, 1972, 5 (07) :2466-&
[9]  
Slater J, 1960, QUANTUM THEORY ATOMI, V2
[10]  
Slater J.C., 1974, QUANTUM THEORY MOL S, V4