The impact of Cu atoms on the reactivity of ZrO2 oligomers

Journal of Molecular Modeling

Volumn 15, Issue 4, 2009, Pages 405-410

  Herrera, Bárbara ^a   Gracia, Francisco ^b,c   Araya, Paulo ^b,c   Toro Labbé, Alejandro ^a,b  

^a PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

^b CIMAT   (Chile)

^c UNIVERSITY OF CHILE   (Chile)

Author keywords

Copper; DFT; Theoretical; Zirconia

Indexed keywords

COPPER; ZIRCONIUM OXIDE;

ACTION POTENTIAL; ARTICLE; ATOMIC PARTICLE; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; ELECTRIC CONDUCTIVITY; ELECTROCHEMICAL ANALYSIS; ENERGY TRANSFER; IONIZATION; MATHEMATICAL COMPUTING; OXYGEN AFFINITY; PARTICLE SIZE; PRIORITY JOURNAL; SURFACE PROPERTY; THEORETICAL STUDY;

COPPER; MODELS, CHEMICAL; ZIRCONIUM;

EID: 60849128186     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0393-x     Document Type: Article

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