Discovering Chemistry With Natural Bond Orbitals Paperback / softback
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.
- Format: Paperback / softback
- Pages: 336 pages
- Publisher: John Wiley & Sons Inc
- Publication Date: 28/06/2012
- Category: Quantum & theoretical chemistry
- ISBN: 9781118119969