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Photoinduced molecular dynamics in s...

Levi, Gianluca.

Photoinduced molecular dynamics in solutionmultiscale modelling and the link to ultrafast experiments /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Photoinduced molecular dynamics in solutionby Gianluca Levi.
其他題名:	multiscale modelling and the link to ultrafast experiments /
作者:	Levi, Gianluca.
出版者:	Cham :Springer International Publishing :2019.
面頁冊數:	xxxviii, 208 p. :ill., digital ;24 cm.
Contained By:	Springer Nature eBook
標題:	Molecular dynamics.
電子資源:	https://doi.org/10.1007/978-3-030-28611-8
ISBN:	9783030286118$q(electronic bk.)

Photoinduced molecular dynamics in solutionmultiscale 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. - Cham :Springer International Publishing :2019. - xxxviii, 208 p. :ill., digital ;24 cm. - Springer theses,2190-5053. - Springer theses..

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$q(electronic bk.)

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

194321
Molecular dynamics.

LC Class. No.: QD461 / .L48 2019

Dewey Class. No.: 541.394

Photoinduced molecular dynamics in solutionmultiscale modelling and the link to ultrafast experiments /
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