MOLECULAR BONDING WITH SCANDIUM - DIATOMICS SCH, SCO, SCC, AND SCN

被引:59
作者
JEUNG, GH [1 ]
KOUTECKY, J [1 ]
机构
[1] FREE UNIV BERLIN, INST PHYS CHEM, D-1000 BERLIN 33, GERMANY
关键词
D O I
10.1063/1.453874
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:3747 / 3760
页数:14
相关论文
共 57 条
[1]   THE LOWER ELECTRONIC STATES OF MON [J].
ALLISON, JN ;
GODDARD, WA .
CHEMICAL PHYSICS, 1983, 81 (03) :263-271
[2]   COMPARISON BETWEEN ISOELECTRONIC TRANSITION-METAL HYDRIDES - MRD-CI RESULTS FOR SCH+ AND TIH+ [J].
ANGLADA, J ;
BRUNA, PJ ;
PEYERIMHOFF, SD ;
BUENKER, RJ .
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1984, 16 (FEB) :163-168
[3]  
ANGLADA J, 1983, J MOL STRUC-THEOCHEM, V10, P299, DOI 10.1016/0166-1280(83)80117-1
[4]  
[Anonymous], 1971, ATOMIC ENERGY LEVELS
[5]   NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS [J].
BARTHELAT, JC ;
DURAND, P ;
SERAFINI, A .
MOLECULAR PHYSICS, 1977, 33 (01) :159-180
[6]  
BARTHELAT JC, 1981, MANUAL WORKSHOP PSEU
[7]   ON THE D-BOND IN SCH [J].
BAUSCHLICHER, CW ;
WALCH, SP .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (09) :4560-4563
[8]   ELECTRONIC-STRUCTURE AND REACTIVITY OF THE TRANSITION-METAL LITHIDES SCLI, CULI AND PDLI [J].
BECKMANN, HO ;
PACCHIONI, G ;
JEUNG, GH .
CHEMICAL PHYSICS LETTERS, 1985, 116 (05) :423-428
[9]  
BERTHELAT JC, 1978, GAZZ CHIM ITAL, V108, P225
[10]   INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58