A polarizable continuum approach for the study of heterogeneous dielectric environments

Journal of Chemical Physics

Volumn 124, Issue 18, 2006, Pages

  Iozzi, Maria Francesca ^a   Cossi, Maurizio ^a   Improta, Roberto ^a   Rega, Nadia ^a   Barone, Vincenzo ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; COMPUTATIONAL METHODS; DIELECTRIC DEVICES; ELECTROSTATICS; MEMBRANES; MOLECULAR DYNAMICS; PARAMAGNETIC RESONANCE; PERMITTIVITY; POLARIZATION; QUANTUM THEORY;

HETEROGENEOUS DIELECTRIC ENVIRONMENTS; MOLECULAR MECHANICS APPROACHES; POLARIZABLE CONTINUUM MODEL (PCM); QUANTUM-MECHANICAL CALCULATIONS;

CONTINUUM MECHANICS;

FREE RADICAL; HISTIDINE; PROTEIN; PROTON;

ALGORITHM; ARTICLE; CELL MEMBRANE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRICITY; ELECTRON SPIN RESONANCE; METABOLISM; PH; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; CELL MEMBRANE; COMPUTER SIMULATION; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTROSTATICS; FREE RADICALS; HISTIDINE; HYDROGEN-ION CONCENTRATION; MODELS, MOLECULAR; PROTEINS; PROTONS; QUANTUM THEORY; THERMODYNAMICS;

EID: 34547648361     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2188392     Document Type: Article

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