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Characterization of the Im-(Im)PorFe bond by Density Functional TheoryEben Sy Dy; Hideaki Kasai · 2006
Density functional reactivity theory characterizing the reactivity of frustrated Lewis pairsWu, Dongling; Liu, Anjie; Jia, Dianzeng · Computational and Theoretical Chemistry · 2018
The structural stability of polyhydroxylated C60(OH)24: Density functional theory characterizationsHongqing He; Limin Zheng; Peng Jin; Minghui Yang · 2011
Characterization of copper clusters through the use of density functional theory reactivity descriptorsJaque, Pablo; Toro-Labbé, Alejandro · The Journal of Chemical Physics · 2002
Characterizing the Catalyzed Hydrolysis of β-1,4 Glycosidic Bonds Using Density Functional TheoryFleming, Kelly L.; Pfaendtner, Jim · The Journal of Physical Chemistry A · 2013
Characterization of the porous structure of carbon materials by means of density functional theoryE. A. Ustinov; V. B. Fenelonov; V. A. Yakovlev; P. I. Eletskii · 2007
Structural characterization of the hydrogen-covered C(100) surface by density functional theory calculationsSteckel, J. A.; Kresse, G.; Hafner, J. · Physical Review B · 2002
Synthesis, characterization and density functional theory investigations of the N,N-diacylaniline derivativesAl-Sehemi, Abdullah G.; Al-Amri, Reem Saied A.A.; Irfan, Ahmad · Arabian Journal of Chemistry · 2013