Advances in Inorganic Chemistry. Vol.62 : Theoretical and computational inorganic chemistry / Eldik, Rudi van

Public ISBD Titre de série : Advances in Inorganic Chemistry Titre : Vol.62 : Theoretical and computational inorganic chemistry Type de document : texte imprimé Auteurs : Eldik, Rudi van, Éditeur scientifique ; Jeremy Harvey, Éditeur scientifique Editeur : San Diego : Academic Press Année de publication : 2010 Collection : Advances in Inorganic Chemistry, ISSN 0898-8838 num. 62 Importance : xi, 522 p. Format : 24 cm ISBN/ISSN/EAN : 978-0-12-380874-5 Langues : Anglais (eng) Note de contenu : "* Molecular Mechanics for Transition Metal Centers: From coordination complexes to metalloproteins * Calculation of magnetic circular dichroism spectra with time-dependent density functional theory * Theoretical investigation of solvent effects and complex systems: toward the calculations of bioinorganic systems from ab initio molecular dynamics simulations and static quantum chemistry * Simulations of liquids and solutions based on quantum mechanical forces * Spin interactions in cluster chemistry * Inner- and outer-sphere hydrogenation mechanisms: a computational perspective * Computational studies on properties, formation, and complexation of m(ii)-porphyrins * Dealing with complexity in open-shell transition metal chemistry from a theoretical perspective: reaction pathways, bonding, spectroscopy, and magnetic properties * Vibronic coupling in inorganic systems: photochemistry, conical intersections, and the Jahn–Teller and pseudo-Jahn–Teller effects * Elementary reactions in polynuclear ions and aqueous–mineral interfaces: a new geology * The aromatic amino acid hydroxylase mechanism: a perspective from computational chemistry." Cote : EXCLU (SdL) Num_Inv : 2974 Advances in Inorganic Chemistry. Vol.62 : Theoretical and computational inorganic chemistry [texte imprimé] / Eldik, Rudi van, Éditeur scientifique ; Jeremy Harvey, Éditeur scientifique . - San Diego : Academic Press, 2010 . - xi, 522 p. ; 24 cm. - (Advances in Inorganic Chemistry, ISSN 0898-8838; 62) . ISBN : 978-0-12-380874-5 Langues : Anglais (eng) Note de contenu : "* Molecular Mechanics for Transition Metal Centers: From coordination complexes to metalloproteins * Calculation of magnetic circular dichroism spectra with time-dependent density functional theory * Theoretical investigation of solvent effects and complex systems: toward the calculations of bioinorganic systems from ab initio molecular dynamics simulations and static quantum chemistry * Simulations of liquids and solutions based on quantum mechanical forces * Spin interactions in cluster chemistry * Inner- and outer-sphere hydrogenation mechanisms: a computational perspective * Computational studies on properties, formation, and complexation of m(ii)-porphyrins * Dealing with complexity in open-shell transition metal chemistry from a theoretical perspective: reaction pathways, bonding, spectroscopy, and magnetic properties * Vibronic coupling in inorganic systems: photochemistry, conical intersections, and the Jahn–Teller and pseudo-Jahn–Teller effects * Elementary reactions in polynuclear ions and aqueous–mineral interfaces: a new geology * The aromatic amino acid hydroxylase mechanism: a perspective from computational chemistry." Cote : EXCLU (SdL) Num_Inv : 2974

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Code-barres	Cote	Support	Localisation	Section	Disponibilité
2974	EXCLU	Texte imprimé	Salle de lecture	Série	Consultation sur place Exclu du prêt

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