On the Calculations of interaction energies and induced electric properties within the polarizable continuum model

Journal of Physical Chemistry A

Volumn 116, Issue 17, 2012, Pages 4409-4416

  Zawada, Agnieszka ^a   Góra, Robert W ^a   Mikołajczyk, Mikołaj M ^a,b   Bartkowiak, Wojciech ^a  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b WROCLAW MEDICAL UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

COUNTERPOISE CORRECTION; ELECTRIC DIPOLE; EXCESS PROPERTIES; FIRST HYPERPOLARIZABILITIES; HYDROGEN FLUORIDE DIMERS; HYDROGEN-BONDED COMPLEXES; INTERACTION ENERGIES; POLARIZABILITIES; POLARIZABLE CONTINUUM MODEL; SELF-CONSISTENT METHOD; STABILIZATION ENERGY;

CONTINUUM MECHANICS; DIMERS; HYDROGEN BONDS; MONOMERS;

ELECTRIC PROPERTIES;

HYDROFLUORIC ACID; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; HYDROGEN BOND; QUANTUM THEORY;

ELECTRONS; HYDROFLUORIC ACID; HYDROGEN BONDING; MODELS, MOLECULAR; QUANTUM THEORY; WATER;

EID: 84860542160     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3016613     Document Type: Article

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