Chelate Effect and Thermodynamics of Metal Complex Formation in Solution: A Quantum Chemical Study

Journal of the American Chemical Society

Volumn 125, Issue 48, 2003, Pages 14941-14950

  Vallet, Valérie ^a   Wahlgren, Ulf ^b   Grenthe, Ingmar ^c  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b ALBANOVA UNIVERSITY CENTER   (Sweden)

^c ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CHELATION; CONTINUUM MECHANICS; ENTHALPY; ENTROPY; GIBBS FREE ENERGY; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; QUANTUM THEORY; SOLUTIONS; TERNARY SYSTEMS; ZINC COMPOUNDS;

BINARY SYSTEMS; INTRAMOLECULAR EXCHANGE; LIGANDS;

AMINES;

AMMONIA; CHELATE; ETHYLENEDIAMINE; LIGAND; METAL COMPLEX; METHYLAMINE; OXALIC ACID; WATER; ZINC DERIVATIVE; ZINC ION;

AB INITIO CALCULATION; ARTICLE; CHELATION; COMPLEX FORMATION; CONDUCTOR; ENERGY; ENTHALPY; ENTROPY; GAS; MICROSCOPY; MOLECULAR DYNAMICS; MOLECULAR WEIGHT; MOLECULE; POLARIZATION; PREDICTION; QUANTUM CHEMISTRY; THERMODYNAMICS;

EID: 0344861853     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja036646j     Document Type: Article

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