ISBN: 9781032578583 - computational studies: from molecules to materials (emerging materials and technologies) (6 Ergebnisse)

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Zustand: As New. Unread book in perfect condition.

Zustand: New.

Paperback. Zustand: Brand New. 272 pages. 7.00x0.62x10.00 inches. In Stock.

Zustand: New. Ambrish Kumar Srivastava is Assistant Professor at the Department of Physics in Deen Dayal Upadhyaya Gorakhpur University, Gorakhpur, India. He was Junior Research Fellow (with All India Rank 18) and Senior Research Fellow of the Council.

Taschenbuch. Zustand: Neu. Neuware - The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules, including biologically relevant molecules and liquid crystals and various aspects of superatomic clusters including superalkalis and superhalogens. 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.…