Bioinorganic molecular mechanics
Article Abstract:
Molecular mechanical (MM) methods are used for predicting and designing new structures and properties, and to model solid-state geometries of small bioinorganic molecules. The bioinorganic parameters- charge, solvation, electronic effects, optimization, charge are discussed. The MM analyzes the complexes of amino acids, nucleotides, carbohydrates, antitumor drugs, siderophores and metalloporphyrins. Spectroscopic properties are observed. The conformations present in the solution are selected by comparing the simulated and experimental spectral characteristics.
Publication Name: Chemical Reviews
Subject: Chemistry
ISSN: 0009-2665
Year: 1995
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Inorganic and bioinorganic solvent exchange mechanisms
Article Abstract:
A comprehensive compilation of solvent exchange rate constants and reaction mechanisms for solvated metal ions in solution and for metal ion complexes with one or several solvent molecules in the first coordination sphere is presented. Solvent exchange reactions do not have net reactions and the Gibbs free energy change, delta G degree, of the reaction is zero as the reagents and the products are identical.
Publication Name: Chemical Reviews
Subject: Chemistry
ISSN: 0009-2665
Year: 2005
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Bioinorganic photochemistry: Frontiers and mechanisms
Article Abstract:
Photochemistry is the chemistry of excited electronic states wherein the change in electron distribution due to photon absorption could cause substantial modifications in the chemical and physical properties of a molecule. A brief overview of several frontiers in bioinorganic photochemistry underlying mechanisms involved in the studied or applied systems is presented.
Publication Name: Chemical Reviews
Subject: Chemistry
ISSN: 0009-2665
Year: 2005
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