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Photoinduced Molecular Dynamics in Solution = Multiscale Modelling and the Link to Ultrafast Experiments /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Photoinduced Molecular Dynamics in Solution/ by Gianluca Levi.
其他題名:	Multiscale Modelling and the Link to Ultrafast Experiments /
作者:	Levi, Gianluca.
面頁冊數:	XXXVIII, 208 p. 63 illus., 56 illus. in color.online resource. :
Contained By:	Springer Nature eBook
標題:	Chemistry, Physical and theoretical. -
電子資源:	https://doi.org/10.1007/978-3-030-28611-8
ISBN:	9783030286118

Photoinduced Molecular Dynamics in Solution = Multiscale Modelling and the Link to Ultrafast Experiments /
Levi, Gianluca.

Photoinduced Molecular Dynamics in SolutionMultiscale Modelling and the Link to Ultrafast Experiments /[electronic resource] :by Gianluca Levi. - 1st ed. 2019. - XXXVIII, 208 p. 63 illus., 56 illus. in color.online resource. - Springer Theses, Recognizing Outstanding Ph.D. Research,2190-5053. - Springer Theses, Recognizing Outstanding Ph.D. Research,.

Introduction and Background -- Theoretical and Computational Methods -- Time-Resolved Ultrafast X-Ray Scattering -- Simulations Results -- Conclusions and Outlook.

This book explores novel computational strategies for simulating excess energy dissipation alongside transient structural changes in photoexcited molecules, and accompanying solvent rearrangements. It also demonstrates in detail the synergy between theoretical modelling and ultrafast experiments in unravelling various aspects of the reaction dynamics of solvated photocatalytic metal complexes. Transition metal complexes play an important role as photocatalysts in solar energy conversion, and the rational design of metal-based photocatalytic systems with improved efficiency hinges on the fundamental understanding of the mechanisms behind light-induced chemical reactions in solution. Theory and atomistic modelling hold the key to uncovering these ultrafast processes. Linking atomistic simulations and modern X-ray scattering experiments with femtosecond time resolution, the book highlights previously unexplored dynamical changes in molecules, and discusses the development of theoretical and computational frameworks capable of interpreting the underlying ultrafast phenomena.

ISBN: 9783030286118

Standard No.: 10.1007/978-3-030-28611-8doiSubjects--Topical Terms:

557299
Chemistry, Physical and theoretical.

LC Class. No.: QD450-801

Dewey Class. No.: 541.2

Photoinduced Molecular Dynamics in Solution = Multiscale Modelling and the Link to Ultrafast Experiments /
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