First-principles calculation of local atomic polarizabilities

Journal of Physical Chemistry A

Volumn 111, Issue 43, 2007, Pages 11141-11146

  Lillestolen, T C ^a   Wheatley, R J ^a  

^a UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CONVERGENCE OF NUMERICAL METHODS; ELECTROSTATIC DEVICES; MOLECULAR DYNAMICS; POLARIZATION; POTENTIAL ENERGY;

ATOMIC POLARIZABILITIES; ELECTROSTATIC POTENTIAL; INDUCTION ENERGIES;

PARAFFINS;

CARBON; CARBON DIOXIDE; CARBON MONOXIDE; ETHYLENE; ETHYLENE DERIVATIVE; HYDROGEN; OXYGEN; WATER;

ALGORITHM; ANISOTROPY; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRICITY; QUANTUM THEORY;

ALGORITHMS; ANISOTROPY; CARBON; CARBON DIOXIDE; CARBON MONOXIDE; COMPUTER SIMULATION; ELECTROSTATICS; ETHYLENES; HYDROGEN; MODELS, CHEMICAL; OXYGEN; QUANTUM THEORY; WATER;

EID: 36048939713     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp073151y     Document Type: Article

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