Pavel A. Korzhavyi

Surface chemistry of oxygen on aluminum—Performance of the density functionals: PBE, PBE0, M06, and M06‐L

Cláudio M. Lousada, Pavel A. Korzhavyi, P. Korzhavyi, 2016, J. Comput. Chem..

Theoretical data for assessments

Pavel A. Korzhavyi, 2011 .

Constitutional and thermal point defects in B2 NiAl

Börje Johansson, Igor A. Abrikosov, Andrei V. Ruban, 2000 .

First-principles calculations of the vacancy formation energy in transition and noble metals

Börje Johansson, Igor A. Abrikosov, Pavel A. Korzhavyi, 1999 .

An improved magnetic model for thermodynamic modeling

Wei Xiong, Qing Chen, Pavel A. Korzhavyi, 2012 .

Structure and energy of point defects in TiC : An ab initio study

Weiwei Sun, Pavel A. Korzhavyi, Hossein Ehteshami, 2015 .

Density functional theory for calculation of elastic properties of orthorhombic crystals: Application to TiSi2

Olle Eriksson, John M. Wills, Lars Fast, 1998 .