Density Functional Study of C−H and O−H Bond Activation by Transition Metal d0−Oxo Complexes:  1. Thermodynamic Considerations

1996 ◽  
Vol 15 (13) ◽  
pp. 3011-3021 ◽  
Author(s):  
Liqun Deng ◽  
Tom Ziegler
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Bond Activation ◽  
Functional Study ◽  
Density Functional Study ◽  
Oxo Complexes

Lewis Acidity and Reactivity of Transition Metal Oxo Complexes. A Comparative Density Functional Study of CH3ReO3, CH3TcO3, and Their Base Adducts

1997 ◽  
Vol 16 (8) ◽  
pp. 1786-1792 ◽  
Author(s):  
Sibylle Köstlmeier ◽  
Vladimir A. Nasluzov ◽  
Wolfgang A. Herrmann ◽  
Notker Rösch
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Lewis Acidity ◽  
Functional Study ◽  
Density Functional Study ◽  
Oxo Complexes

scholarly journals Transition metal adatoms on graphene: A systematic density functional study

Carbon ◽  
2015 ◽  
Vol 95 ◽  
pp. 525-534 ◽  
Author(s):  
Montserrat Manadé ◽  
Francesc Viñes ◽  
Francesc Illas
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study
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