Molecular aniline clusters. I. the electronic ground state

Journal of Chemical Physics

Volumn 132, Issue 17, 2010, Pages

  Schemmel, Dominik ^a   Schütz, Martin ^a  

^a UNIVERSITY OF REGENSBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ANILINE MONOMERS; BENZENE DIMERS; DISPERSION CONTRIBUTION; ELECTRONIC GROUND STATE; GLOBAL MINIMA; HYDROGEN BONDINGS; INTERACTION ENERGIES; MODEL POTENTIAL; NON-ADDITIVE; ON-THE-FLY; STABLE STRUCTURES; TAIL ARRANGEMENT; TOTAL INTERACTION ENERGY; VAN DER WAALS;

ANILINE; BENZENE; DISPERSIONS; GROUND STATE; HYDROGEN; MONOMERS; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

HYDROGEN BONDS;

ANILINE; ANILINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DIMERIZATION; ELECTRON; QUANTUM THEORY; THERMODYNAMICS;

ANILINE COMPOUNDS; DIMERIZATION; ELECTRONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 77955866131     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3419505     Document Type: Article

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