Evaluation of stabilization energies in π-π And cation-π interactions involved in biological macromolecules by ab initio calculations

Journal of Physics Condensed Matter

Volumn 21, Issue 6, 2009, Pages

  Tateno, Masaru ^a   Hagiwara, Yohsuke ^a  

^a UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO CALCULATIONS; AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; AROMATIC RINGS; BIOLOGICAL MACROMOLECULES; BIOLOGICAL MOLECULES; COUPLED CLUSTERS; DENSITY FUNCTIONAL; DOMINANT CONTRIBUTIONS; FUNCTIONAL MECHANISMS; INDUCTION ENERGIES; INTERACTION ENERGIES; NON-COVALENT INTERACTIONS; POLARIZATION EFFECTS; STABILIZATION ENERGIES; THREE-DIMENSIONAL STRUCTURES; VAN DER WAALS INTERACTIONS;

AROMATIC COMPOUNDS; ELECTRONIC STRUCTURE; MACROMOLECULES; METHOD OF MOMENTS; MOLECULAR MECHANICS; POSITIVE IONS; SUPRAMOLECULAR CHEMISTRY; THREE DIMENSIONAL; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 63749121044     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/6/064243     Document Type: Article

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