BONDING IN THE DINIOBIUM MOLECULE BY ALL-ELECTRON ABINITIO CALCULATIONS

被引:8
作者
COTTON, FA
SHIM, I
机构
[1] TEXAS A&M UNIV,MOLEC STRUCT & BONDING LAB,COLLEGE STN,TX 77843
[2] TECH UNIV DENMARK,DEPT CHEM PHYS,CHEM LAB B,DK-2800 LYNGBY,DENMARK
关键词
D O I
10.1021/j100252a013
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:952 / 956
页数:5
相关论文
共 27 条
[1]  
ALMLOF J, 1973, 2ND P SEM COMP PROBL, P14
[2]  
ASLUND N, 1965, ARK FYS, V30, P171
[3]  
BAGUS PS, ALCHEMY PROGRAM SYST
[4]   ELECTRONIC-STRUCTURE AND VIBRATIONAL FREQUENCY OF CR-2 [J].
BONDYBEY, VE ;
ENGLISH, JH .
CHEMICAL PHYSICS LETTERS, 1983, 94 (05) :443-447
[5]   GROUND STATES CONFIGURATIONS AND TRUNCATED ORBITAL BASES OF IRON-SERIES ATOMS [J].
CLAYDON, CR ;
CARLSON, KD .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (03) :1331-&
[6]  
Cotton F. A., 1982, MULTIPLE BONDS METAL
[7]   BONDING IN THE DIRUTHENIUM MOLECULE BY ABINITIO CALCULATIONS [J].
COTTON, FA ;
SHIM, I .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (25) :7025-7029
[8]  
DONOHUE J, 1982, STRUCTURE ELEMENTS, P179
[9]   NATURE OF MO-MO AND CR-CR MULTIPLE BONDS - A CHALLENGE FOR THE LOCAL-DENSITY APPROXIMATION [J].
GOODGAME, MM ;
GODDARD, WA .
PHYSICAL REVIEW LETTERS, 1982, 48 (03) :135-138
[10]   ABSORPTION-SPECTRA OF NB ATOMS ISOLATED IN RARE-GAS MATRICES [J].
GREEN, DW ;
GRUEN, DM .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (10) :4462-&