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. Quantum chemistryMolecular mechanicsForce fieldsChemical education and applications in academic and industrial settings INDICE: Quantum Chemistry Methods with Multiwavelet Bases on Massive Parallel Computers On the Transferability of Three Water Models Developed by Adaptive Force Matching Seeing the Forest in Lieu of the Trees: Continuum Simulations of Cell Membranes at Large Length Scales A Microscopic View of the Mechanisms of Active Transport Across the Cellular Membrane Monte Carlo Simulation of Electrolyte Solutions in Biology: In and Out of Equilibrium The Development and Implementation of A Bio-Molecular Docking Exercise for the General Chemistry Laboratory
- ISBN: 978-0-444-63378-1
- Editorial: Elsevier
- Encuadernacion: Rústica
- Páginas: 208
- Fecha Publicación: 11/12/2014
- Nº Volúmenes: 1
- Idioma: Inglés