Results 301 to 306 of about 6,241,670 (306)

First-principles density functional calculations for Mg alloys: A tool to aid in alloy development

Scripta Materialia, 2010
Dongwon Shin, Chris Wolverton
exaly  

Structural and Magnetic Properties of CoGen− (n=2–11) Clusters: Photoelectron Spectroscopy and Density Functional Calculations

ChemPhysChem, 2014
Xi-Ling Xu, Hong-Guang Xu, Xiang-Yu Kong   +2 more
exaly  

Density functional calculations of the enthalpies of formation of rare-earth orthophosphates

American Mineralogist, 2012
exaly  

The Electron Density as Calculated From Density Functional Theory

1995
Russell J. Boyd, Jian Wang, Leif A. Eriksson   +2 more
openaire   +1 more source

Adsorption of CO on Rh(100) studied by ab initio local-density functional calculations

Journal of Chemical Physics, 1998
exaly  

Density Functional Calculations for Atomic Clusters

1984
openaire   +1 more source