
Annual Reports in Computational Chemistry
Description
Key Features
- Includes timely discussions on quantum chemistry and molecular mechanics
- Covers force fields, chemical education and more
- Presents the latest in chemical education and applications in both academic and industrial settings
Readership
Table of Contents
Section A: Quantum Chemistry - Weak and Non-Bonded Interactions
1. Benchmark Databases of Intermolecular Interaction Energies: Design, Construction, and Significance
Konrad Patkowski
2. Dissociation in Binary Acid/Base Clusters: An Examination of Inconsistencies Introduced Into the Many-Body Expansion by Naïve Fragmentation Schemes
Gregory S. Tschumper, Thomas L. Ellington and Sarah N. Johnson
3. The Quantum Chemical Study of Chemical Reactions at Extreme High Pressure by Means of the Extreme-Pressure Polarizable Continuum Model
Roberto CammiSection B: Quantum Chemistry - Novel Approaches for Understanding Bonding
4. Interpreting Bonding and Spectra With Correlated, One-Electron Concepts From Electron Propagator Theory
J. Vincent OrtizSection C: Quantum Chemistry - Periodic Simulations
5. Plane–Wave DFT Methods for Chemistry
Eric J. BylaskaSection D: Biochemical Simulations - Molecular Dynamics
6. Gaussian Accelerated Molecular Dynamics: Theory, Implementation, and Applications
Yinglong Miao and J. Andrew McCammon
Product details
- No. of pages: 292
- Language: English
- Copyright: © Elsevier 2017
- Published: August 24, 2017
- Imprint: Elsevier
- eBook ISBN: 9780444639448
- Hardcover ISBN: 9780444639400
About the Serial Editor
David A. Dixon

Affiliations and Expertise
Ratings and Reviews
There are currently no reviews for "Annual Reports in Computational Chemistry"