scholarly journals Ab initio study of the adsorption of 3d transition metals on Ni(100) surface

2020 ◽  
Vol 2 (4) ◽  
Author(s):  
Mohammad Obeid ◽  
Ihsan Erikat ◽  
Bothina Hamad ◽  
Jamil Khalifeh
Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Ab Initio Study

scholarly journals Structure and dynamics of the liquid 3d transition metals near melting. An ab initio study

2020 ◽  
Vol 32 (21) ◽  
pp. 214005
Author(s):  
Beatriz G del Rio ◽  
Carlos Pascual ◽  
Luis E González ◽  
David J González
Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Structure And Dynamics

Adsorption of magnetic transition metals on borophene: an ab initio study

2018 ◽  
Vol 91 (3) ◽  
Author(s):  
Shalini Tomar ◽  
Priyank Rastogi ◽  
Bhagirath Singh Bhadoria ◽  
Somnath Bhowmick ◽  
Yogesh Singh Chauhan ◽  
...  
Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Magnetic Transition ◽  
Ab Initio Study

Intercalation of transition metals in aluminene bi-layers: An ab initio study

2019 ◽  
Vol 150 (19) ◽  
pp. 194702 ◽  
Author(s):  
Dhanshree Pandey ◽  
C. Kamal ◽  
Aparna Chakrabarti
Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Ab Initio Study

Interaction of the early 3d transition metals Sc, Ti, V, and Cr with N2: An ab initio study

2006 ◽  
Vol 124 (10) ◽  
pp. 104306 ◽  
Author(s):  
Stavros Kardahakis ◽  
Constantine Koukounas ◽  
Aristides Mavridis
Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Ab Initio Study

A pseudopotential ab initio study of a β-complex between transition metals and allyl anion

1985 ◽  
Vol 120 ◽  
pp. 479-484 ◽  
Author(s):  
M. Merchan ◽  
I. Nebot-Gil ◽  
R. Gonzalez-Luque ◽  
F. Tomas
Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Ab Initio Study
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