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The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 31 include: Lattice-Boltzmann Modeling of Multicomponent Systems: An IntroductionModeling Mechanochemistry from First PrinciplesMapping Energy Transport Networks in ProteinsThe Role of Computations in CatalysisThe Construction of Ab Initio Based Potential Energy SurfacesUncertainty Quantification for Molecular Dynamics
- Author:
- Abby L. Parrill, Kenny B. Lipkowitz
- Publisher:
- Wiley
- Publication Date:
- Nov 06, 2018
- Number of pages:
- 352 pages
- Language:
- English
- Binding:
- Hardcover
- ISBN-10:
- 1119518024
- ISBN-13:
- 9781119518020