Discovering chemistry with natural bond orbitals / / Frank Weinhold, Clark R. Landis

• Autore: Weinhold Frank <1941->
• Pubblicazione: Hoboken, N.J., : Wiley, 2012
• Edizione: 1st ed.
• Descrizione fisica: 1 online resource (350 p.)
• Disciplina: 541/.28
• Soggetto topico: Chemical bonds; Molecular orbitals
• Classificazione: SCI013050
• Altri autori: LandisClark R. <1956->
• Note generali: Includes index.
• Nota di contenuto: 1. Getting started -- 2. Electrons in atoms -- 3. Atoms in molecules -- 4. Hybrids and bonds in molecules -- 5. Resonance delocalization corrections -- 6. Steric and electrostatic effects -- 7. Nuclear and electronic spin effects -- 8. Coordination and hyperbonding -- 9. Intermolecular interactions -- 10. Transition state species and chemical reactions -- 11. Excited state chemistry.
• Sommario/riassunto: "This book is about chemical bonds, their intrinsic energies and the corresponding dissociation energies which are relevant in reactivity problems; it is the first book to detail relatively uncomplicated but physically meaningful approaches to molecular properties, an area important to help understand chemical principles and predict chemical properties. The primary goal of this book is to enable students to gain proficiency in using the NBO program to re-express complex many-electron wavefunctions in terms of intuitive chemical concepts and orbital imagery, with minimal distractions from underlying mathematical or programming details"--
• Titolo autorizzato: Discovering chemistry with natural bond orbitals
• ISBN: 9786613689061; 9781280778674; 1280778679; 9781118229194; 1118229193; 9781118229101; 111822910X; 9781118229163; 1118229169
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910818884403321
• Lo trovi qui: Univ. Federico II