A hybrid approach combining energy density analysis with the interaction energy decomposition method

Journal of Computational Chemistry

Volumn 25, Issue 15, 2004, Pages 1882-1887

  Kawamura, Yoshiumi ^a   Nakai, Hiromi ^a  

^a WASEDA UNIVERSITY   (Japan)

Author keywords

CO adsorption; Energy decomposition; Interaction EDA; RVS SCF method; Si(100) surface

Indexed keywords

CHARGE TRANSFER; ELECTROSTATICS; HALOGENATION; NUCLEAR ENERGY; PROTONS; SILICON;

ENERGY DECOMPOSITION; ENERGY DENSITY; PROTON TRANSFER; WAVE FUNCTIONS;

MOLECULAR DYNAMICS;

EID: 8344266817     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20117     Document Type: Article

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