Vibronic Coupling Density By Tatsuhisa Kato, Naoki Haruta, Tohru Sato

Category

Quantum & theoretical chemistr

Store

Wordery

Brand

Springer nature singapore

Vibronic Coupling Density : Springer : 9789811617959 : 9811617953 : 19 Jun 2021 : 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.

59.99 GBP