REX CALCULATIONS .12. ITERATION PARAMETERS FOR THE 5F-ELEMENT ORGANOMETALLICS OF THORIUM-NEPTUNIUM - GEOMETRIES OF THO2 AND UO2(2+) REVISITED

被引:67
作者
PYYKKO, P [1 ]
LAAKKONEN, LJ [1 ]
TATSUMI, K [1 ]
机构
[1] OSAKA UNIV,FAC SCI,DEPT MACROMOLEC CHEM,TOYONAKA,OSAKA 560,JAPAN
关键词
D O I
10.1021/ic00309a009
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
引用
收藏
页码:1801 / 1805
页数:5
相关论文
共 25 条
[1]  
Albright T.A., 1985, ORBITAL INTERACTIONS
[2]   A REASSIGNMENT OF THE GAS-PHASE PHOTOELECTRON-SPECTRA OF THE ACTINIDE TETRAHALIDES UF4, UCL4, THF4 AND THCL4 BY RELATIVISTIC HARTREE-FOCK-SLATER CALCULATIONS [J].
BOERRIGTER, PM ;
SNIJDERS, JG ;
DYKE, JM .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1988, 46 (01) :43-53
[3]   A RELATIVISTIC LCAO HARTREE-FOCK-SLATER INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF THE ACTINOCENES TH(COT)2, PA(COT)2, U(COT)2, NP(COT)2, PU(COT)2 [J].
BOERRIGTER, PM ;
BAERENDS, EJ ;
SNIJDERS, JG .
CHEMICAL PHYSICS, 1988, 122 (03) :357-374
[4]  
BOERRIGTER PM, 1987, THESIS VRIJE U AMSTE
[5]   FROM BONDS TO BANDS AND MOLECULES TO SOLIDS [J].
BURDETT, JK .
PROGRESS IN SOLID STATE CHEMISTRY, 1984, 15 (03) :173-255
[6]  
BURDETT JK, 1984, PROG SOLID STATE CHE, V15, P241
[7]   PHOTOELECTRON-SPECTROSCOPY OF F-ELEMENT ORGANOMETALLIC COMPLEXES .6. ELECTRONIC-STRUCTURE OF TETRAKIS(CYCLOPENTADIENYL)ACTINIDE COMPLEXES [J].
BURSTEN, BE ;
CASARIN, M ;
DIBELLA, S ;
FANG, A ;
FRAGALA, IL .
INORGANIC CHEMISTRY, 1985, 24 (14) :2169-2173
[8]  
CHANG A, UNPUB
[9]  
Desclaux J. P., 1974, Atomic Data and Nuclear Data Tables, V12, P311, DOI 10.1016/0092-640X(73)90020-X
[10]   INFRARED-SPECTRA AND STRUCTURE OF SOME MATRIX-ISOLATED LANTHANIDE AND ACTINIDE OXIDES [J].
GABELNICK, SD ;
REEDY, GT ;
CHASANOV, MG .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (03) :1167-1171