Comparison of hydration reactions for "piano-stool" RAPTA-B and [Ru(η6- Arene)(en)Cl]+ complexes: Density functional theory computational study

Journal of Chemical Physics

Volumn 134, Issue 2, 2011, Pages

  Chval, Zdeněk ^a   Futera, Zdeněk ^b   Burda, Jaroslav V ^b  

^a UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

^b CHARLES UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

ANALOGOUS REACTIONS; B3LYP/6-31G; CALCULATED VALUES; CIS-PLATIN; COMPUTATIONAL STUDIES; CONTINUUM MODEL; COORDINATION POSITION; DISSOCIATION MECHANISMS; ENERGY CALCULATION; EXPERIMENTAL VALUES; HALF-SANDWICH COMPLEXES; HYDRATION MODELS; HYDRATION PROCESS; HYDRATION REACTION; PENTACOORDINATED; POLARIZABLE CONTINUUM MODEL; QUANTUM-CHEMICAL METHODS;

BENZENE; BINDING ENERGY; CHLORINE; COMPUTATION THEORY; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; HYDRATION; PLATINUM COMPOUNDS; QUANTUM CHEMISTRY; RATE CONSTANTS; RUTHENIUM ALLOYS; SUBSTITUTION REACTIONS;

CHLORINE COMPOUNDS;

LIGAND; ORGANOMETALLIC COMPOUND; RUTHENIUM;

ARTICLE; CHEMISTRY; COMPARATIVE STUDY; CONFORMATION; QUANTUM THEORY;

LIGANDS; MOLECULAR CONFORMATION; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; RUTHENIUM;

EID: 78751498926     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3515534     Document Type: Article

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