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

Format:

Book

Author/Creator:

Weinhold, Frank, 1941-

Contributor:

Landis, Clark R., 1956-

Language:

English

Subjects (All):

Chemical bonds.

Molecular orbitals.

Physical Description:

1 online resource (350 p.)

Edition:

1st ed.

Place of Publication:

Hoboken, N.J. : Wiley, 2012.

Language Note:

English

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.

Contents:

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.

Notes:

Includes index.

ISBN:

9786613689061

9781280778674

1280778679

9781118229194

1118229193

9781118229101

111822910X

9781118229163

1118229169

OCLC:

801405891