Annual reports in computational chemistry. Volume 13 (2017)

• Record Type: Book
• Further Information: Note: Edited by David A. Dixon.
• Editors: Dixon, David A
• 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 Cammi Section B: Quantum Chemistry - Novel Approaches for Understanding Bonding 4. Interpreting Bonding and Spectra With Correlated, One-Electron Concepts From Electron Propagator Theory J. Vincent Ortiz Section C: Quantum Chemistry - Periodic Simulations 5. Plane–Wave DFT Methods for Chemistry Eric J. Bylaska Section D: Biochemical Simulations - Molecular Dynamics 6. Gaussian Accelerated Molecular Dynamics: Theory, Implementation, and Applications Yinglong Miao and J. Andrew McCammon
• Publisher Details: Amsterdam : Elsevier
• Publication Date: 2017
• Extent: 1 online resource
• Subjects: 542.85; Chemistry -- Data processing; Chemistry -- Computer simulation
• Languages: English
• ISBNs: 9780444639448
• Related ISBNs: 9780444639400
• Notes: Note: Description based on CIP data; resource not viewed.
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