Titre :	Sigma molecular orbital theory
Type de document :	texte imprimé
Auteurs :	Oktay Sinanoglu, Éditeur scientifique ; Kenneth B. Wiberg, Éditeur scientifique
Editeur :	London : Yale University
Année de publication :	1970
Importance :	ix, 455 p.
ISBN/ISSN/EAN :	978-0-300-01145-6
Langues :	Anglais (eng)
Catégories :	Chimie théorique
Tags :	MOLECULAR ORBITALS
Résumé :	"Molecular orbital methods have been extended recently to apply to saturated as conjugated systems. In this rapidly developping field many practical applications to problems of both organic and inorganic chemistry are proving possible: though the methods are still in the developmental stage and continue to pose challenges for the theorist, they are nevertheless becoming everyday tools for the practicing chemist. This "state-of-the-science book represents an overall view from the combined vantage point of theoretical and organic chemistry, of the new semi-empirical methods their theoretical basis, compares them with nonempirical computer calculations, and presents a range of applications and problems in organic and inorganic chemistry. General discussions by the authors are followed by contributions by a number of experts, prepared specifically for this book and supplemented by key reprints from the original litterature. The chapters, particularly those on how the computer emerges as a powerful new instrument, a simulator of electronic structure capable of group theory as well, are amply illustrated. An annoted bibliography of recent organic chemical applications is included."
Cote :	B-H041 (SdS)
Num_Inv :	418

Sigma molecular orbital theory [texte imprimé] / Oktay Sinanoglu, Éditeur scientifique ; Kenneth B. Wiberg, Éditeur scientifique . - London : Yale University, 1970 . - ix, 455 p.
ISBN : 978-0-300-01145-6
Langues : Anglais (eng)

Catégories :	Chimie théorique
Tags :	MOLECULAR ORBITALS
Résumé :	"Molecular orbital methods have been extended recently to apply to saturated as conjugated systems. In this rapidly developping field many practical applications to problems of both organic and inorganic chemistry are proving possible: though the methods are still in the developmental stage and continue to pose challenges for the theorist, they are nevertheless becoming everyday tools for the practicing chemist. This "state-of-the-science book represents an overall view from the combined vantage point of theoretical and organic chemistry, of the new semi-empirical methods their theoretical basis, compares them with nonempirical computer calculations, and presents a range of applications and problems in organic and inorganic chemistry. General discussions by the authors are followed by contributions by a number of experts, prepared specifically for this book and supplemented by key reprints from the original litterature. The chapters, particularly those on how the computer emerges as a powerful new instrument, a simulator of electronic structure capable of group theory as well, are amply illustrated. An annoted bibliography of recent organic chemical applications is included."
Cote :	B-H041 (SdS)
Num_Inv :	418