Computational studies molecules materials (21 resultados)

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

hardcover. Condición: Fine.

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Taschenbuch. Condición: 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.…

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Condición: New. 1st edition NO-PA16APR2015-KAP.

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Hardback. Condición: New. New copy - Usually dispatched within 4 working days.

Condición: New. Brand New! Fast Delivery This is an International Edition and ship within 24-48 hours. Deliver by FedEx and Dhl, & Aramex, UPS, & USPS and we do accept APO and PO BOX Addresses. Order can be delivered worldwide within 6-10 days and we do have flat rate for up to 2LB. Extra shipping charges will be requested if the Book weight is more than 5 LB. This Item May be shipped from India, United states & United Kingdom. Depending on your location and availability.…

Hardcover. Condición: Brand New. 312 pages. 10.00x7.00x10.00 inches. In Stock.

Buch. Condición: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - 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.…