Theoretical investigation of the coordination of N2 ligands to the cluster Ni3

Journal of Physical Chemistry A

Volumn 108, Issue 29, 2004, Pages 6127-6144

  Aleksandrov, Hristiyan A ^a   Vayssilov, Georgi N ^a   Rösch, Notker ^b  

^a UNIVERSITY OF SOFIA   (Bulgaria)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; APPROXIMATION THEORY; BINDING ENERGY; COMPLEXATION; IONIZATION; MATHEMATICAL MODELS; NITROGEN; PROBABILITY DENSITY FUNCTION;

ELECTRONIC AFFINITY (EA); GENERALIZED GRADIENT APPROXIMATION (GGA); IONIZATION POTENTIAL (IP); LOCAL DENSITY APPROXIMATION (LDA);

MOLECULAR DYNAMICS;

EID: 3342998643     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048923u     Document Type: Article

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