* Covers the following topics:
* Density matrices and density functional theory
* Electron correlation
* Relativistic effects
* Valence theory
* Nuclear motion
* Response theory
* Condensed matter
* Chemical reactions
* Provides an overview of computational photochemistry, dealing with principles and applications
* Demonstrates techniques that can be used in the computer-aided design of novel photo responsive materials
* Written by experts in computational photochemistry
Propagating Insight: A Tribute to the Works of Yngve Ohrn: A Tribute to the Works of Yngve Ohrn, Volume 35
In so doing, it covers a multitude of apparatus-driven technologies, starting with the common and traditional spectroscopic methods, more recent developments (THz), as well as rather unusual methodologies and systems, such as the prediction of parity violation, rare gas HI complexes or theoretical spectroscopy of the transition state.
With its summarized results of so many different disciplines, this timely book will be of interest to newcomers to this hot topic while equally informing experts about developments in neighboring fields.
Combining Quantum Mechanics and Molecular Mechanics. Some Recent Progresses in QM/MM Methods: Volume 59
* Publishes articles, invited reviews and proceedings of major international conferences and workshops
* Written by leading international researchers in quantum and theoretical chemistry
* Highlights important interdisciplinary developments
A description of procedures for probing bond activation, H-bonded systems, molecular dynamical mechanisms, vibrational dephasing, simple liquids, and proteins and energy flow effects using ultrafast vibrational spectroscopy experiments. It discusses experimental and theoretical methods of ultrafast infrared and Raman measurements.