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Discovering Chemistry With Natural Bond Orbitals, Paperback / softback Book

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:
  • Category: Quantum & theoretical chemistry
  • ISBN: 9781118119969



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