scholarly journals Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds

2010 ◽  
Vol 82 (7) ◽  
Author(s):  
V. L. Chevrier ◽  
S. P. Ong ◽  
R. Armiento ◽  
M. K. Y. Chan ◽  
G. Ceder
Keyword(s):  
Transition Metal ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Transition Metal Compounds ◽  
Redox Potentials ◽  
Metal Compounds ◽  
Hybrid Density Functional ◽  
Formation Energies

scholarly journals First-principles prediction of redox potentials in transition-metal compounds withLDA+U

2004 ◽  
Vol 70 (23) ◽  
Author(s):  
F. Zhou ◽  
M. Cococcioni ◽  
C. A. Marianetti ◽  
D. Morgan ◽  
G. Ceder
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Transition Metal Compounds ◽  
Redox Potentials ◽  
Metal Compounds

Density Functional Calculations of EPR Parameter g Tensors of Some Transition Metal Complexes

2011 ◽  
Vol 2 (2) ◽  
pp. 139-141
Author(s):  
Vinita Prajapati ◽  
◽  
P.L.Verma P.L.Verma ◽  
Dhirendra Prajapati ◽  
B.K.Gupta B.K.Gupta
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Density Functional Calculations ◽  
Density Functional
Sign in / Sign up

Export Citation Format

Share Document