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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Photoinduced Molecular Dynamics in Solution: Multiscale Modelling and the Link to Ultrafast Experiments

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

Levi, Gianluca

Hardcover

Series: Springer Theses

ChemistryPhysics

ISBN10: 303028610X
ISBN13: 9783030286101
Publisher: Springer Nature
Published: Sep 19 2019
Pages: 208
Weight: 1.16
Height: 0.63 Width: 6.14 Depth: 9.21
Language: English
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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