Mathematical modeling and physical reality in noncovalent interactions

Journal of Molecular Modeling

Volumn 21, Issue 3, 2015, Pages

  Politzer, Peter ^a,b   Murray, Jane S ^a,b   Clark, Timothy ^c,d  

^a UNIVERSITY OF NEW ORLEANS   (United States)

^b CleVeTheoComp LLC   (United States)

^c UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^d UNIVERSITY OF PORTSMOUTH   (United Kingdom)

Author keywords

Charge transfer; Dispersion; Electrostatic potential; Halogen bonding; Hellmann Feynman theorem; Hydrogen bonding; Noncovalent interactions; Polarization; hole interactions

Indexed keywords

ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; DENSITY; FORCE; MATHEMATICAL MODEL; PHYSICAL CHEMISTRY; POLARIZATION; PRIORITY JOURNAL; STATIC ELECTRICITY;

EID: 84923683666     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-015-2585-5     Document Type: Article

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