Discovering Chemistry With Natural Bond Orbitals
| Author | : | |
| Rating | : | 4.83 (865 Votes) |
| Asin | : | 1118119967 |
| Format Type | : | paperback |
| Number of Pages | : | 336 Pages |
| Publish Date | : | 2015-11-16 |
| 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's research focuses on catalysis in transition metal complexes.. He has received teaching and lectureship awards for his contributions to chemical education. Professor Weinhold has served on the editorial advisory boards of the International Journal of Quantum Chemistry and Russian Journal of Physical Chemistry. LAND
Excellent introduction and useful handbook for NBO No Name Texan 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 about how to set up and interpret, not those packed with equations.This book meets my needs. My opinion is this book is an excellent introduction and companion to. Two Stars Antonio Eduardo da Hora Machado This book is excessively basic. It dit not meet my expectations.
“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)
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.. 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)