Discovering chemistry with natural bond orbitals [electronic resource] / Frank Weinhold, Clark R. Landis.
Weinhold, Frank, 1941-; Landis, Clark R., 1956-
2012
QD461 .W45 2012eb
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Title Discovering chemistry with natural bond orbitals [electronic resource] / Frank Weinhold, Clark R. Landis.
Author Weinhold, Frank, 1941-
ISBN 9781118119969 (pbk.)
9781118229163 (e-book)
Publication Details Hoboken, N.J. : Wiley, 2012.
Language English
Description xii, 319 p., [16] p. of plates : ill. (some col.)
Call Number QD461 .W45 2012eb
Dewey Decimal Classification 541/.28
Summary "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"-- Provided by publisher.
Note Includes index.
Access Note Access limited to authorized users.
Added Author Landis, Clark R., 1956-
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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.

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