Name: Vibronic Coupling Density: Understanding Molecular Deformation (en Inglés)
SKU: 57307558
Price: 1480.20 MXN
Availability: InStock
Author: Tatsuhisa Kato; Naoki Haruta; Tohru Sato
ISBN: 9789811617959

portada Vibronic Coupling Density: Understanding Molecular Deformation (en Inglés)

Vibronic Coupling Density: Understanding Molecular Deformation (en Inglés)

Formato

Libro Físico

Editorial

Springer

Autor

Tatsuhisa Kato; Naoki Haruta; Tohru Sato

Idioma

Inglés

N° páginas

113

Encuadernación

Tapa Blanda

ISBN13

9789811617959

N° edición

Vibronic Coupling Density: Understanding Molecular Deformation (en Inglés)

Tatsuhisa Kato; Naoki Haruta; Tohru Sato (Autor) · Springer · Tapa Blanda

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Reseña del libro "Vibronic Coupling Density: Understanding Molecular Deformation (en Inglés)"

This book introduces vibronic coupling density and vibronic coupling constant analyses as a way to understand molecular structure and chemical reactions. After quantum study, the behavior of electrons circulating around nuclei led to the principal concept that underlies all explanations in chemistry. Many textbooks have given plausible explanations to clarify molecular structure--for example, the bond elongation of ethylene under anionization and the nonplanar structure of ammonia. Frontier molecular orbital concepts were proposed to visualize the path of chemical reactions, and conventional explanations gave students a familiarity with molecular structures in terms of the electronic state. By contrast, this book offers a more rational and more convincing path to understanding. It starts from the ab initio molecular Hamiltonian and provides systematic, rational approaches to comprehend chemical phenomena. In this way, the book leads the reader to a grasp of the quantitative evaluation of the force applied under the molecular deformation process. As well, guidelines are offered for integrating the traditional "hand-waving" approach of chemistry with more rational and general VCD and VCC alternatives along with the outlook for newly functionalized chemical systems.