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Discovering Chemistry With Natural Bond Orbitals

Autor F Weinhold
en Limba Engleză Paperback – 26 iul 2012
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.
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Specificații

ISBN-13: 9781118119969
ISBN-10: 1118119967
Pagini: 336
Dimensiuni: 169 x 233 x 20 mm
Greutate: 0.5 kg
Editura: Wiley
Locul publicării:Hoboken, United States

Public țintă

Physical, computational, physical organic, organic, biochemists, molecular biologists, materials scientists, and nanoscientistsCollege and graduate–level chemistry students in computational chemistry, physical chemistry, biochemistry, or bonding theory courses; all students in the molecular and biomolecular sciences who wish to add NBO–based analysis methods to their computational chemistry toolbox. 

Cuprins


Notă biografică

FRANK WEINHOLD, PhD, is Emeritus Professor of Physical and Theoretical Chemistry at the University of Wisconsin-Madison. 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 Wisconsin-Madison. He has received teaching and lectureship awards for his contributions to chemical education. Dr. Landis's research focuses on catalysis in transition metal complexes.

Descriere

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.