Discovering chemistry with natural bond orbitals / Frank Weinhold

Public ISBD Titre : Discovering chemistry with natural bond orbitals Type de document : texte imprimé Auteurs : Frank Weinhold, Éditeur scientifique ; Clark R. Landis, Éditeur scientifique Editeur : Hoboken : Wiley Année de publication : 2012 Importance : xii, 319 p. ISBN/ISSN/EAN : 978-1-118-11996-9 Langues : Anglais (eng) Catégories : Chimie théorique Tags : CHEMICAL BONDS  MOLECULAR ORBITALS Index. décimale : B-H Résumé : "This book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It offers the first book on conceptual quantum chemistry, a key area for understanding chemical principles and predicting chemical properties. It presents NBO mathematical algorithms embedded in a well-tested and widely used computer program (currently, NBO 5.9). While encouraging a "look under the hood" (Appendix A), this book mainly enables students to gain proficiency in using the NBO program to re-express complex wavefunctions in terms of intuitive chemical concepts and orbital imagery." Cote : B-H072 (SdS) Num_Inv : 3317 Discovering chemistry with natural bond orbitals [texte imprimé] / Frank Weinhold, Éditeur scientifique ; Clark R. Landis, Éditeur scientifique . - Hoboken : Wiley, 2012 . - xii, 319 p. ISBN : 978-1-118-11996-9 Langues : Anglais (eng) Catégories : Chimie théorique Tags : CHEMICAL BONDS  MOLECULAR ORBITALS Index. décimale : B-H Résumé : "This book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It offers the first book on conceptual quantum chemistry, a key area for understanding chemical principles and predicting chemical properties. It presents NBO mathematical algorithms embedded in a well-tested and widely used computer program (currently, NBO 5.9). While encouraging a "look under the hood" (Appendix A), this book mainly enables students to gain proficiency in using the NBO program to re-express complex wavefunctions in terms of intuitive chemical concepts and orbital imagery." Cote : B-H072 (SdS) Num_Inv : 3317

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
3317	B-H072	Texte imprimé	Bibliothèque	Livre	Disponible

Valency and bonding / Frank Weinhold

Public ISBD Titre : Valency and bonding : A natural bond orbital donor-acceptor perspective Type de document : texte imprimé Auteurs : Frank Weinhold ; Clark R. Landis Editeur : Cambridge : Cambridge University Press Année de publication : 2005 Importance : ix, 749 p. Format : 26 cm. ISBN/ISSN/EAN : 978-0-521-83128-4 Langues : Anglais (eng) Tags : CHEMICAL BONDS  MOLECULAR STRUCTURE  VALENCE Index. décimale : EQ -Equipe- Résumé : "This textbook develops the foundations of Lewis- and Pauling-like localized structural and hybridization concepts to present the first modernized overview of chemical valency and bonding theory. Directly based on current computational technology, it serves as both a general textbook exposition of modern Lewis, hybridization, and resonance concepts and a comprehensive compilation of NBO-based bonding descriptors--for prototype molecular and supramolecular organic and inorganic species. * Presents the first modernized overview of chemical valency and bonding theory * Authors are leaders in the field * Hundreds of examples for independent reader investigation using computational and analysis tools." Cote : LCC/O Num_Inv : 2959 Valency and bonding : A natural bond orbital donor-acceptor perspective [texte imprimé] / Frank Weinhold ; Clark R. Landis . - Cambridge : Cambridge University Press, 2005 . - ix, 749 p. ; 26 cm. ISBN : 978-0-521-83128-4 Langues : Anglais (eng) Tags : CHEMICAL BONDS  MOLECULAR STRUCTURE  VALENCE Index. décimale : EQ -Equipe- Résumé : "This textbook develops the foundations of Lewis- and Pauling-like localized structural and hybridization concepts to present the first modernized overview of chemical valency and bonding theory. Directly based on current computational technology, it serves as both a general textbook exposition of modern Lewis, hybridization, and resonance concepts and a comprehensive compilation of NBO-based bonding descriptors--for prototype molecular and supramolecular organic and inorganic species. * Presents the first modernized overview of chemical valency and bonding theory * Authors are leaders in the field * Hundreds of examples for independent reader investigation using computational and analysis tools." Cote : LCC/O Num_Inv : 2959

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
2959	LCC/O	Texte imprimé	Equipe	Livre	Equipe - Demande préalable Disponible

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