The accuracy of DFT-optimized geometries of functional transition metal compounds: a validation study of catalysts for olefin metathesis and other reactions in the homogeneous phase

2012 ◽  
Vol 41 (18) ◽  
pp. 5526 ◽  
Author(s):  
Yury Minenkov ◽  
Åsmund Singstad ◽  
Giovanni Occhipinti ◽  
Vidar R. Jensen
Keyword(s):  
Transition Metal ◽  
Validation Study ◽  
Olefin Metathesis ◽  
Transition Metal Compounds ◽  
Metal Compounds ◽  
Homogeneous Phase ◽  
Functional Transition ◽  
Optimized Geometries

An Evolutionary Algorithm for de Novo Optimization of Functional Transition Metal Compounds

2012 ◽  
Vol 134 (21) ◽  
pp. 8885-8895 ◽  
Author(s):  
Yunhan Chu ◽  
Wouter Heyndrickx ◽  
Giovanni Occhipinti ◽  
Vidar R. Jensen ◽  
Bjørn K. Alsberg
Keyword(s):  
Transition Metal ◽  
Evolutionary Algorithm ◽  
De Novo ◽  
Transition Metal Compounds ◽  
Metal Compounds ◽  
Functional Transition

Superconductivity of some transition metal compounds

1980 ◽  
Vol 34 (1) ◽  
pp. 45-50 ◽  
Author(s):  
A.Nørlund Christensen ◽  
S.E. Rasmussen ◽  
G. Thirup
Keyword(s):  
Transition Metal ◽  
Transition Metal Compounds ◽  
Metal Compounds
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