A novel computational scheme for accurate and efficient evaluation of π-π And π-σ stacking

Journal of Physics Condensed Matter

Volumn 21, Issue 24, 2009, Pages

  Hagiwara, Yohsuke ^a   Tateno, Masaru ^a  

^a UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AROMATIC RINGS; BIOLOGICAL MACROMOLECULE; CCSD; COMPUTATIONAL COSTS; COMPUTATIONAL SCHEMES; COMPUTATIONAL TIME; ELECTRON DENSITIES; GAUSSIAN TYPE FUNCTION; INTERACTION ENERGIES; OPTIMAL PARAMETER; OPTIMIZATION SCHEME; STABILIZATION ENERGY; STRUCTURAL STABILITIES; VAN DER WAALS INTERACTIONS;

AMINO ACIDS; AROMATIC COMPOUNDS; METHOD OF MOMENTS; MODEL STRUCTURES; MOLECULAR MECHANICS; PROBABILITY DENSITY FUNCTION; STABILITY; SUPRAMOLECULAR CHEMISTRY; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 66349097143     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/24/245103     Document Type: Article

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