کتاب دانلود کتب لاتین علوم مهندسیفیزیک
پویایی ملکولی ناشی از نور در محلول - مدل سازی چند مقیاس و پیوند به آزمایشات فوق سریع
پویایی ملکولی ناشی از نور در محلول - مدل سازی چند مقیاس و پیوند به آزمایشات فوق سریع

Photoinduced Molecular Dynamics in Solution - Multiscale Modelling and the Link to Ultrafast Experiments
نویسنده: Gianluca Levi
سال انتشار: 2019
تعداد صفحات: 226
زبان فایل: English
فرمت فایل: pdf
حجم فایل: 9MB

دانلود رایگان

Publisher : Springer

ISBN-10 : 3030286134, 303028610X

ISBN-13 : 978-3030286132, 978-3030286101

ASIN : B07X92VXLW

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.