Discovering Chemistry With Natural Bond Orbitals
| Author | : | |
| Rating | : | 4.98 (781 Votes) |
| Asin | : | 1118119967 |
| Format Type | : | paperback |
| Number of Pages | : | 336 Pages |
| Publish Date | : | 2013-03-09 |
| Language | : | English |
DESCRIPTION:
Dr. He is the author of more than 170 technical publications and software packages, including the natural bond orbital program.CLARK R. LANDIS, PhD, is Professor of Inorganic Chemistry at the University of Wisconsin–Madison. He has received teaching and lectureship awards for his contributions to chemical education. FRANK WEINHOLD, PhD, is Emeritus Professor of Physical and Theoretical Chemist
Excellent introduction and useful handbook for NBO While I teach molecular modeling at the undergraduate and graduate level, I am far from a card carrying theorist or computational chemist. My need for computational chemistry is highly applied. Hence I really need books which provide examples and detail. Two Stars Antonio Eduardo da Hora Machado This book is excessively basic. It dit not meet my expectations.
This book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It presents NBO mathematical algorithms embedded in a well-tested and widely used computer program (currently, NBO 5.9). It offers the first book on conceptual quantum chemistry, a key area for understanding chemical principles and predicting chemical properties. 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.
“Following this text’s clear explanations, even readers with limited backgrounds in quantum mechanics will learn how to perform sophisticated explorations of modern bonding and valency concepts.” (Chimie Nouvelle, 1 March 2013)