Computational Density Functional Study of Polypyrrolic Macrocycles: Analysis of Actinyl-Oxo to 3d Transition Metal Bonding

2008 ◽  
Vol 47 (24) ◽  
pp. 11583-11592 ◽  
Author(s):  
Joel J. Berard ◽  
Georg Schreckenbach ◽  
Polly L. Arnold ◽  
Dipti Patel ◽  
Jason B. Love
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Metal Bonding ◽  
Transition Metal Bonding

Density Functional Study of the First-Row Transition-Metal Monoxides*

1996 ◽  
Vol 1 (1) ◽  
pp. 39-49
Author(s):  
J. Piechota ◽  
M. Suffczyński
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

ChemInform Abstract: Systematic Density Functional Study of the Adsorption of Transition Metal Atoms on the MgO(001) Surface.

ChemInform ◽  
2010 ◽  
Vol 28 (27) ◽  
pp. no-no
Author(s):  
I. YUDANOV ◽  
G. PACCHIONI ◽  
K. NEYMAN ◽  
N. ROESCH
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Metal Atoms ◽  
Transition Metal Atoms

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

Magnetic Coupling in End-On Azido-Bridged Transition Metal Complexes:  A Density Functional Study

1998 ◽  
Vol 120 (43) ◽  
pp. 11122-11129 ◽  
Author(s):  
Eliseo Ruiz ◽  
Joan Cano ◽  
Santiago Alvarez ◽  
Pere Alemany
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Density Functional ◽  
Magnetic Coupling ◽  
Functional Study ◽  
Density Functional Study

Density Functional Study of the Adsorption of Atomic Oxygen on the (001) Surface of Early Transition-Metal Carbides

2006 ◽  
Vol 111 (3) ◽  
pp. 1307-1314 ◽  
Author(s):  
F. Viñes ◽  
C. Sousa ◽  
F. Illas ◽  
P. Liu ◽  
J. A. Rodriguez
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Atomic Oxygen ◽  
Functional Study ◽  
Metal Carbides ◽  
Density Functional Study ◽  
Early Transition Metal ◽  
Transition Metal Carbides ◽  
Early Transition
Sign in / Sign up

Export Citation Format

Share Document