ELECTRONIC STATES AND NATURE OF BONDING OF THE RUC MOLECULE BY ALL-ELECTRON ABINITIO HF CI CALCULATIONS AND EQUILIBRIUM MASS-SPECTROMETRIC EXPERIMENTS

被引:37
作者
SHIM, I [1 ]
FINKBEINER, HC [1 ]
GINGERICH, KA [1 ]
机构
[1] TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
关键词
D O I
10.1021/j100296a014
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:3171 / 3178
页数:8
相关论文
共 23 条
[1]  
ALMLOF J, 1973, 2ND P SEM COMP PROBL
[2]  
Auwera-Mahieu AV., 1970, T FARADAY SOC, V66, P809, DOI [10.1039/tf9706600809, DOI 10.1039/TF9706600809]
[3]   GROUND STATES CONFIGURATIONS AND TRUNCATED ORBITAL BASES OF IRON-SERIES ATOMS [J].
CLAYDON, CR ;
CARLSON, KD .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (03) :1331-&
[4]   DETERMINATION OF HEATS OF ATOMIZATION OF MOLECULES RHC2, RHC, AND TIC2 BY HIGH-TEMPERATURE MASS-SPECTROMETRY [J].
COCKE, DL ;
GINGERICH, KA .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (09) :3654-+
[5]   BONDING IN THE DIRUTHENIUM MOLECULE BY ABINITIO CALCULATIONS [J].
COTTON, FA ;
SHIM, I .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (25) :7025-7029
[6]   ATOMIZATION ENERGIES OF GASEOUS CEOS, CERU, OSC AND OSC2 [J].
GINGERICH, KA ;
COCKE, DL .
INORGANICA CHIMICA ACTA, 1978, 28 (02) :L171-L172
[7]   THERMODYNAMIC EVIDENCE FOR QUADRUPLE BOND FORMATION IN MOLECULE THRU AND POSSIBLE MAXIMUM BOND-ENERGY BETWEEN LIGAND-FREE METAL ATOMS [J].
GINGERICH, KA .
CHEMICAL PHYSICS LETTERS, 1974, 25 (04) :523-526
[8]  
Herzberg G., 1979, MOL SPECTRA MOL STRU, VIV
[9]  
Hultgren RR, 1973, SELECTED VALUES THER
[10]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&