DFT-based chemical potential equalization models for silica polymorphs

Authors :: Sukhomlinov, S.
Verstraelen, T.
Smirnov, M.B.
Smirnov, K.S.
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE)
Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Centrale Lille Institut (CLIL)
Center for Molecular Modeling (CMM)
Universiteit Gent = Ghent University [Belgium] (UGENT)
Department of Physics
St Petersburg State University (SPbU)
Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)
Universiteit Gent = Ghent University (UGENT)
Source :: International Congress "Challenges in Density Matrix and Density Functional Theory", International Congress "Challenges in Density Matrix and Density Functional Theory", Apr 2012, Ghent, Belgium
Publication Year :: 2012
Publisher :: HAL CCSD, 2012.

Subjects :: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

Language :: English
Database :: OpenAIRE
Journal :: International Congress "Challenges in Density Matrix and Density Functional Theory", International Congress "Challenges in Density Matrix and Density Functional Theory", Apr 2012, Ghent, Belgium
Accession number :: edsair.dedup.wf.001..ffff6df4469b692cac47379199f6da55