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.
| Author | : Frank Weinhold |
| Publisher | : John Wiley & Sons |
| Total Pages | : 342 |
| Release | : 2012-06-15 |
| 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.
