Activation barriers and rate constants for hydration of platinum and palladium square-planar complexes: An ab initio study

Journal of Chemical Physics

Volumn 120, Issue 3, 2004, Pages 1253-1262

  Burda, Jaroslav V ^a   Zeizinger, Michal ^a   Leszczynski, Jerzy ^b  

^a CHARLES UNIVERSITY   (Czech Republic)

^b JACKSON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; COMPUTER SIMULATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; OPTIMIZATION; PALLADIUM COMPOUNDS; PERTURBATION TECHNIQUES; PLATINUM COMPOUNDS; QUANTUM THEORY; RATE CONSTANTS; TEMPERATURE; THERMODYNAMICS;

ACTIVATION BARRIERS; BASIS SET SUPERPOSITION ERROR; CISPLATIN; ENDOTHERMIC REACTIONS; EYRING TRANSITION STATE THEORY; GIBBS ENTHALPIES; MOLLER-PLESSET PERTURBATION THEORY; PSEUODOMOLECULES; TRANSPLATIN;

HYDRATION;

CHLORIDE; CISPLATIN; LIGAND; PALLADIUM; PLATINUM; QUATERNARY AMMONIUM DERIVATIVE; TRANSPLATIN; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; KINETICS; METHODOLOGY; PHYSICAL CHEMISTRY; TEMPERATURE; THERMODYNAMICS;

CHEMISTRY; CHEMISTRY, PHYSICAL; CHLORIDES; CISPLATIN; KINETICS; LIGANDS; METHODS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PALLADIUM; PLATINUM; QUATERNARY AMMONIUM COMPOUNDS; TEMPERATURE; THERMODYNAMICS; WATER;

EID: 1142303874     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1633757     Document Type: Article

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