Find your perfect holiday reading
Transient Changes in Molecular Geometries and How to Model Them: Simulating Chemical Reactions of Metal Complexes in Solution to Explore   Dynamics, Solvation, Coherence, and the Link to Experiment - Springer Theses (Paperback)
  • Transient Changes in Molecular Geometries and How to Model Them: Simulating Chemical Reactions of Metal Complexes in Solution to Explore   Dynamics, Solvation, Coherence, and the Link to Experiment - Springer Theses (Paperback)
zoom

Transient Changes in Molecular Geometries and How to Model Them: Simulating Chemical Reactions of Metal Complexes in Solution to Explore Dynamics, Solvation, Coherence, and the Link to Experiment - Springer Theses (Paperback)

(author)
£74.99
Paperback 146 Pages / Published: 17/10/2016
  • We can order this

Usually dispatched within 3 weeks

  • This item has been added to your basket

This thesis examines various aspects of excess excitation energy dissipation via dynamic changes in molecular structure, vibrational modes and solvation. The computational work is carefully described and the results are compared to experimental data obtained using femtosecond spectroscopy and x-ray scattering. The level of agreement between theory and experiment is impressive and provides both a convincing validation of the method and significant new insights into the chemical dynamics and molecular determinants of the experimental data. Hence, the method presented in the thesis has the potential to become a very important contribution to the rapidly growing field of femtosecond x-ray science, a trend reflected in the several free-electron x-ray lasers (XFELs) currently being built around the world.

Light-induced chemical processes are accompanied by molecular motion of electrons and nuclei on the femtosecond time scale. Uncovering these dynamics is central to our understanding of the chemical reaction on a fundamental level.

Asmus O. Dohn has implemented a highly efficient QM/MM Direct Dynamics method for predicting the solvation dynamics of transition metal complexes in solution.

Publisher: Springer International Publishing AG
ISBN: 9783319386836
Number of pages: 146
Weight: 2876 g
Dimensions: 235 x 155 x 10 mm
Edition: Softcover reprint of the original 1st ed. 201

You may also be interested in...

Biophysical Chemistry
Added to basket
Atoms in the Family
Added to basket
£19.50
Paperback
Why Chemical Reactions Happen
Added to basket
Reactions at Solid Surfaces
Added to basket
The Cosmic-Chemical Bond
Added to basket
Reactions
Added to basket
£12.99
Paperback
A Tale of Seven Elements
Added to basket
Molecular Quantum Mechanics
Added to basket
Note-by-Note Cooking
Added to basket
£20.00
Hardback
Water: A Very Short Introduction
Added to basket
Renormalization Methods
Added to basket
Atkins' Molecules
Added to basket
£39.99
Paperback

Please sign in to write a review

Your review has been submitted successfully.