Discovering Chemistry With Natural Bond Orbitals
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€90.99
A01=Clark R. Landis
A01=Frank Weinhold
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Author_Clark R. Landis
Author_Frank Weinhold
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Category1=Non-Fiction
Category=PNRP
chemical bonding
computational biology
computational chemistry
conceptual quantum chemistry
COP=United States
Delivery_Delivery within 10-20 working days
electronic structure calculations
electronic structure software
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eq_nobargain
eq_non-fiction
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Language_English
many-electron molecular wavefunction
nanoscience
Natural Bond Orbitals
NBO
PA=Available
Price_€50 to €100
PS=Active
Schr??dinger's equation
softlaunch
system wavefunction
Product details
- ISBN 9781118119969
- Weight: 517g
- Dimensions: 158 x 236mm
- Publication Date: 27 Jul 2012
- Publisher: John Wiley & Sons Inc
- Publication City/Country: US
- Product Form: Paperback
- Language: English
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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.
FRANK WEINHOLD, PhD, is Emeritus Professor of Physical and Theoretical Chemistry at the University of WisconsinMadison. Professor Weinhold has served on the editorial advisory boards of the International Journal of Quantum Chemistry and Russian Journal of Physical Chemistry. 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 WisconsinMadison. He has received teaching and lectureship awards for his contributions to chemical education. Dr. Landis's research focuses on catalysis in transition metal complexes.
