Discovering Chemistry With Natural Bond Orbitals
- ISBN-10
- 1118229193
- ISBN-13
- 9781118229194
- Category
- Science
- Pages
- 336
- Language
- English
- Published
- 2012-06-15
- Publisher
- John Wiley & Sons
- Author
- Frank Weinhold
Description
This book explores chemical bonds, their intrinsic energies, andthe corresponding dissociation energies which are relevant inreactivity problems. It offers the first book on conceptual quantumchemistry, a key area for understanding chemical principles andpredicting chemical properties. It presents NBO mathematicalalgorithms embedded in a well-tested and widely used computerprogram (currently, NBO 5.9). While encouraging a "look under thehood" (Appendix A), this book mainly enables students to gainproficiency in using the NBO program to re-express complexwavefunctions in terms of intuitive chemical concepts and orbitalimagery.
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