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 Several new developments in quantum reaction dynamics. Time-dependent quantum wave packet approach, Polyatomic quantum reaction dynamics
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Several new developments in quantum reaction dynamics. Time-dependent quantum wave packet approach, Polyatomic quantum reaction dynamics

автор Dunyou W. издательство Книга по Требованию Физическая химия
Cтраниц 128        мягкая обложка       
Аннотация:In recent years, quantum dynamics scattering theory has been well developed for small systems, such as three or four atom systems. In this book, based on the author's Ph.D. dissertation, the Reactant Product Decoupling approach has been developed for photodissociation systems to save the computational effort in dynamics calculations without losing the computational accuracy. Another challenging aspect is how to correct available but not accurate potential energy surfaces (PES) to experimentally accurate ones that are crucial to the accuracy of the dynamics calculations. The Inverse Perturbation via Singular Value Decomposition method has been proposed to correct the available PES by using the experimental data as input. For polyatomic systems, Semi-rigid Vibrating Rotor Target model has been developed to deal with polyatomic reactions on a rigid surface. This model surpasses the diatomic model for polyatomic molecule reactions on surfaces, especially for the rotational motion which is treated accurately. Applications of the above theories to specific chemical reactions are presented in this book.
Автор: Dunyou W.
Издательство: Книга по Требованию
Год:2009
Цена:
2384 руб
Нет в наличии
Поиск: Several new developments in quantum reaction dynamics. Time-dependent quantum wave packet approach, Polyatomic quantum reaction dynamics
НОВЫЙ ГОД СИМВОЛ 2013 ГОДАУКРАШЕНИЯ
КАРНАВАЛ НА НОВЫЙ ГОД РАСПРОДАЖА
Ортомолекулярная медицина Orthomol Устрание причин заболеваний. Ортомоль это новый метод для лечения и профилактики болезней. Orthomol - ортомолекулярная медицина.
Evaluating the GPRS Radio Interface for Different Quality of Service...

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