Charge-scaled cavities in polarizable continuum model: Determination of acid dissociation constants for platinum-amino acid complexes

Journal of Chemical Physics

Volumn 131, Issue 13, 2009, Pages

  Zimmermann, Tomáš ^a   Burda, Jaroslav V ^a  

^a CHARLES UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

AMINATION; AMINES; AMINO ACIDS; CONTINUUM MECHANICS; DISSOCIATION; HYDROGEN; HYDROGEN BONDS; METAL COMPLEXES; ORGANIC ACIDS; PLATINUM; REACTION KINETICS; SOLVATION; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

ACID DISSOCIATION CONSTANTS; AMINO GROUP; BASIS SETS; CARBOXYL GROUPS; CIS-PLATIN; CONTINUUM SOLVATION MODELS; DENSITY FUNCTIONALS; ELECTRONIC DENSITY; INTRAMOLECULAR HYDROGEN BOND; IONIZABLE GROUPS; MOLECULAR CAVITY; MONODENTATE COMPLEXES; ORGANIC MOLECULES; PARTIAL CHARGES; PLATINUM COMPLEXES; POLARIZABLE CONTINUUM MODEL; POSITIVELY CHARGED; PROTONATED; ROOT MEAN SQUARE ERRORS; SIMPLE MODIFICATIONS; TOTAL CHARGE;

PLATINUM COMPOUNDS;

AMINO ACID; PLATINUM; SOLVENT;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION;

AMINO ACIDS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PLATINUM; SOLVENTS;

EID: 70350482313     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3236842     Document Type: Article

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