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Computational Studies: From Molecules to Materials -

inglise keel
2026-05-21
99,16 € 165,27 €

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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 overvie ... Täielik kirjeldus

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Kirjeldus

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.

Lisateave

Kirjastaja Taylor & Francis Ltd
Series Emerging Materials and Technologies
Väljalaskeaasta 2026
Kaanetüüp Pehme kaanega
EAN 9781032578583
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Te vaatate: Computational Studies: From Molecules to Materials
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99,16 € 165,27 €