Computational Studies: From Molecules to Materials (Emerging Materials and Technologies)
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It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase. Features:Includes first principle methods, density functional theory, as well as molecular dynamics simulations.
Explores quantum chemical studies on several molecules. Gives readers an overview of the power of computation.
Discusses superatomic clusters, superalkalis, and superhalogens. Covers themes from molecules, clusters, materials, as well as biophysical systems.
This book is aimed at researchers and graduate students in materials science and computational and theoretical chemistry. .
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£27.18
£28.33 -
£10.58
£12.58 -
£16.71
£17.13
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