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Discovering Chemistry With Natural Bond Orbitals

Discovering Chemistry With Natural Bond Orbitals by Frank Weinhold
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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.

Wiley; June 2012
300 pages; ISBN 9781118229194
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Title: Discovering Chemistry With Natural Bond Orbitals
Author: Frank Weinhold
 
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