Overview

Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.

Full Product Details

Author:   Ralph A. Wheeler (Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA)
Publisher:   Elsevier Science & Technology
Imprint:   Elsevier Science Ltd
Volume:   10
Weight:   0.400kg
ISBN:  

9780444633781

ISBN 10:   0444633782
Pages:   236
Publication Date:   03 December 2014
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   Manufactured on demand  
We will order this item for you from a manufactured on demand supplier.

Table of Contents

            Section A—Quantum Chemistry Quantum Chemistry Methods with Multiwavelet Bases on Massive Parallel Computers Alvaro Vazquez-Mayagoitia, W. Scott Thornton, Jeff R. Hammond and Robert J. Harrison On the Transferability of Three Water Models Developed by Adaptive Force Matching Hongyi Hu, Zhonghua Ma and Feng Wang Section B—Biological Applications Seeing the Forest in Lieu of the Trees: Continuum Simulations of Cell Membranes at Large Length Scales Kayla Sapp, Roie Shlomovitz and Lutz Maibaum A Microscopic View of the Mechanisms of Active Transport Across the Cellular Membrane Giray Enkavi, Jing Li, Pochao Wen, Sundarapandian Thangapandian, Mahmoud Moradi, Tao Jiang, Wei Han and Emad Tajkhorshid Monte Carlo Simulation of Electrolyte Solutions in Biology: In and Out of Equilibrium Dezso Boda Section C—Chemical Education The Development and Implementation of a Bio-Molecular Docking Exercise for the General Chemistry Laboratory Clare E. O’Grady, Peter Talpey, Timothy E. Elgren and Adam W. Van Wynsberghe

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