Interaction of alkene radical cations with solvent molecules as described with density functional theory

Journal of Physical Chemistry A

Volumn 101, Issue 47, 1997, Pages 8942-8948

  Mohr, M ^a   Zipse, H ^a   Marx, D ^b   Parrinello, M ^b  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^b MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTROSTATICS; MOLECULAR STRUCTURE; SOLUTIONS; WATER;

DENSITY FUNCTIONAL THEORY; HARTREE FOCK METHOD;

ETHYLENE;

EID: 0031273907     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972344q     Document Type: Article

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