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Photoinduced molecular dynamics in s...

Levi, Gianluca.

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Photoinduced molecular dynamics in solution = multiscale modelling and the link to ultrafast experiments /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Photoinduced molecular dynamics in solution/ by Gianluca Levi.
Reminder of title:	multiscale modelling and the link to ultrafast experiments /
Author:	Levi, Gianluca.
Published:	Cham :Springer International Publishing : : 2019.,
Description:	xxxviii, 208 p. :ill., digital ;24 cm.
[NT 15003449]:	Introduction and Background -- Theoretical and Computational Methods -- Time-Resolved Ultrafast X-Ray Scattering -- Simulations Results -- Conclusions and Outlook.
Contained By:	Springer Nature eBook
Subject:	Molecular dynamics. -
Online resource:	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. - 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

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

547134
Molecular dynamics.

LC Class. No.: QD461 / .L48 2019

Dewey Class. No.: 541.394

Photoinduced molecular dynamics in solution = multiscale modelling and the link to ultrafast experiments /
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505 0 $a Introduction and Background -- Theoretical and Computational Methods -- Time-Resolved Ultrafast X-Ray Scattering -- Simulations Results -- Conclusions and Outlook.
520 $a 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.
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