Ab initio studies of transition-metal compounds: the nature of the chemical bond to a transition metal

1997 ◽  
pp. 1653-1662 ◽  
Author(s):  
Gernot Frenking ◽  
Ulrich Pidun
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Chemical Bond ◽  
Transition Metal Compounds ◽  
Metal Compounds

Ab initio CI calculation of K shell absorption spectra in transition metal compounds

1993 ◽  
Vol 174 (1) ◽  
pp. 57-70 ◽  
Author(s):  
G. Fronzoni ◽  
P. Decleva ◽  
A. Lisini
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Absorption Spectra ◽  
Transition Metal Compounds ◽  
Metal Compounds ◽  
Ci Calculation

Ab initio orbital studies of molybdenum-95, oxygen-17, and sulfur-33 chemical shielding in transition-metal compounds

1991 ◽  
Vol 95 (14) ◽  
pp. 5463-5470 ◽  
Author(s):  
J. E. Combariza ◽  
M. Barfield ◽  
J. H. Enemark
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Transition Metal Compounds ◽  
Chemical Shielding ◽  
Metal Compounds

Ab initio calculations on transition metal compounds using small minimal GTO basis sets

1985 ◽  
Vol 117 (2) ◽  
pp. 151-153 ◽  
Author(s):  
L. Seijo ◽  
Z. Barandiaran ◽  
M. Klobukowski ◽  
S. Huzinaga
Keyword(s):  
Transition Metal ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Transition Metal Compounds ◽  
Basis Sets ◽  
Metal Compounds

Quantum-Mechanical ab initio Investigation of the Transition-Metal Compounds OsO4, OsO3F2, OsO2F4, OsOF6, and OsF8

1993 ◽  
Vol 126 (6) ◽  
pp. 1325-1330 ◽  
Author(s):  
Achim Veldkamp ◽  
Gernot Frenking
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Transition Metal Compounds ◽  
Quantum Mechanical ◽  
Metal Compounds
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