Titre :	Advances in Inorganic Chemistry. Vol.73 : Computational chemistry
Type de document :	texte imprimé
Auteurs :	Eldik, Rudi van, Éditeur scientifique ; Puchta, Ralph, Éditeur scientifique
Editeur :	San Diego : Academic Press
Année de publication :	2019
Collection :	Advances in Inorganic Chemistry, ISSN 0898-8838 num. 73
Importance :	xv, 542 p.
ISBN/ISSN/EAN :	978-0-12-815728-2
Note générale :	Advances in Inorganic Chemistry presents timely and informative summaries of the recent progress in a variety of subject areas within inorganic chemistry, ranging from bioinorganic to solid state. In recent years each volume is a thematic issue that focuses on a special area in inorganic chemistry and highlights recent progress made in the specific area. This highly acclaimed serial publishes reviews written by subject experts and is an indispensable reference to advanced researchers. Each volume contains an index, and each chapter is comprehensively referenced.
Langues :	Anglais (eng)
Résumé :	Computational Chemistry, Volume 73, the latest release in the Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers that empowers readers to pursue new developments in each field. Users will find this to be a comprehensive overview of recent findings and trends from the last decade that covers various kinds of inorganic topics, from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals.
Note de contenu :	"* Metal–metal interactions in binuclear cyclopentadienylmetal carbonyls: Extending insight from experimental work through computational studies * Novel aspects of element–element bonds in main group chemistry * The beryllium bond * Cation affinities throughout the periodic table * Stacking interaction potential energy surfaces of square–planar metal complexes containing chelate rings * Quantitative descriptors of electronic structure in the framework of molecular orbital theory * Toward accurate spin-state energetics of transition metal complexes * Structure and bonding in endohedral transition metal clusters * Molecular modeling of transition metal and rare earth coordination compounds * Bifunctional aliphatic PNP pincer catalysts for hydrogenation: Mechanisms and scope * Schrock vs. Fischer carbenes: A quantum chemical perspective * Prediction of ion selectivity by quantum chemical calculations X: A recent (personal) review * Molecular simulations of crystal growth: From understanding to tailoring
Cote :	EXCLU (SdL)
Num_Inv :	632

Advances in Inorganic Chemistry. Vol.73 : Computational chemistry [texte imprimé] / Eldik, Rudi van, Éditeur scientifique ; Puchta, Ralph, Éditeur scientifique . - San Diego : Academic Press, 2019 . - xv, 542 p.. - (Advances in Inorganic Chemistry, ISSN 0898-8838; 73) .
ISBN : 978-0-12-815728-2
Advances in Inorganic Chemistry presents timely and informative summaries of the recent progress in a variety of subject areas within inorganic chemistry, ranging from bioinorganic to solid state. In recent years each volume is a thematic issue that focuses on a special area in inorganic chemistry and highlights recent progress made in the specific area. This highly acclaimed serial publishes reviews written by subject experts and is an indispensable reference to advanced researchers. Each volume contains an index, and each chapter is comprehensively referenced.
Langues : Anglais (eng)

Résumé :	Computational Chemistry, Volume 73, the latest release in the Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers that empowers readers to pursue new developments in each field. Users will find this to be a comprehensive overview of recent findings and trends from the last decade that covers various kinds of inorganic topics, from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals.
Note de contenu :	"* Metal–metal interactions in binuclear cyclopentadienylmetal carbonyls: Extending insight from experimental work through computational studies * Novel aspects of element–element bonds in main group chemistry * The beryllium bond * Cation affinities throughout the periodic table * Stacking interaction potential energy surfaces of square–planar metal complexes containing chelate rings * Quantitative descriptors of electronic structure in the framework of molecular orbital theory * Toward accurate spin-state energetics of transition metal complexes * Structure and bonding in endohedral transition metal clusters * Molecular modeling of transition metal and rare earth coordination compounds * Bifunctional aliphatic PNP pincer catalysts for hydrogenation: Mechanisms and scope * Schrock vs. Fischer carbenes: A quantum chemical perspective * Prediction of ion selectivity by quantum chemical calculations X: A recent (personal) review * Molecular simulations of crystal growth: From understanding to tailoring
Cote :	EXCLU (SdL)
Num_Inv :	632