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Discovering Chemistry With Natural Bond Orbitals

Download or Read eBook Discovering Chemistry With Natural Bond Orbitals PDF written by Frank Weinhold and published by John Wiley & Sons. This book was released on 2012-06-15 with total page 342 pages. Available in PDF, EPUB and Kindle.
Discovering Chemistry With Natural Bond Orbitals
Author :
Publisher : John Wiley & Sons
Total Pages : 342
Release :
ISBN-10 : 9781118229194
ISBN-13 : 1118229193
Rating : 4/5 (94 Downloads)

Book Synopsis Discovering Chemistry With Natural Bond Orbitals by : Frank Weinhold

Book excerpt: This book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It offers the first book on conceptual quantum chemistry, a key area for understanding chemical principles and predicting chemical properties. It presents NBO mathematical algorithms embedded in a well-tested and widely used computer program (currently, NBO 5.9). While encouraging a "look under the hood" (Appendix A), this book mainly enables students to gain proficiency in using the NBO program to re-express complex wavefunctions in terms of intuitive chemical concepts and orbital imagery.


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