A model study for the breaking of N2 from CNx within DFT

Solid State Sciences

Volumn 5, Issue 5, 2003, Pages 701-703

  Weihrich, Richard ^a   Matar, Samir F ^a   Betranhandy, Emmanuel ^a   Eyert, Volker ^b  

^a INST CHIM MATIERE COND BORDEAUX   (France)

^b UNIVERSITY OF AUGSBURG   (Germany)

Author keywords

Carbon nitrides; DFT; ELF; High bulk modulus

Indexed keywords

CHARGE TRANSFER; CRYSTAL STRUCTURE; HARDNESS; NITROGEN; RELAXATION PROCESSES;

CELL CONSTANTS;

CARBON NITRIDE;

NITROGEN DERIVATIVE;

ANALYTIC METHOD; ARTICLE; CHEMICAL STRUCTURE; HARDNESS; MATHEMATICAL ANALYSIS; MOLECULAR MODEL; STRUCTURE ANALYSIS; SURFACE CHARGE; SYNTHESIS; THEORY;

EID: 0038184149     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1293-2558(03)00057-8     Document Type: Article

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