The Metal Carbon Double Bond in Fischer Carbenes: A Density Functional Study of the Importance of Nonlocal Density Corrections and Relativistic Effects

1994 ◽  
Vol 98 (44) ◽  
pp. 11406-11410 ◽  
Author(s):  
Heiko Jacobsen ◽  
Georg Schreckenbach ◽  
Tom Ziegler
Keyword(s):  
Double Bond ◽  
Density Functional ◽  
Relativistic Effects ◽  
Functional Study ◽  
Density Functional Study ◽  
Carbon Double Bond ◽  
Fischer Carbenes ◽  
Density Corrections

Density Functional Study of N2Activation by Molybdenum(III) Complexes. Unusually Strong Relativistic Effects in 4d Metal Compounds

1997 ◽  
Vol 16 (5) ◽  
pp. 995-1000 ◽  
Author(s):  
Konstantin M. Neyman ◽  
Vladimir A. Nasluzov ◽  
Jutta Hahn ◽  
Clark R. Landis ◽  
Notker Rösch
Keyword(s):  
Density Functional ◽  
Relativistic Effects ◽  
Functional Study ◽  
Metal Compounds ◽  
Density Functional Study

Relativistic Effects on Bonding in Cationic Transition-Metal-Carbene Complexes: A Density-Functional Study

1995 ◽  
Vol 117 (1) ◽  
pp. 495-500 ◽  
Author(s):  
Christoph Heinemann ◽  
Roland H. Hertwig ◽  
Ralf Wesendrup ◽  
Wolfram Koch ◽  
Helmut Schwarz
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Relativistic Effects ◽  
Functional Study ◽  
Carbene Complexes ◽  
Density Functional Study
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