Название: Computational Studies: From Molecules to Materials Автор: Ambrish Kumar Srivastava (Editor) Издательство: CRC Press Год выхода: 2025 Страниц: 293 Формат: True PDF Размер: 20,1 MB Язык: английский
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.
Computational and Numerical Simulations Название: Computational and Numerical Simulations Автор: Ivan Stanimirovic Издательство: Arcler Press Год: 2019 Формат: PDF Страниц: 256 Размер:...
Molecular Simulations: Fundamentals and Practice Название: Molecular Simulations: Fundamentals and Practice Автор: Saman Alavi Издательство: Wiley-VCH Год: 2020 Формат: PDF Страниц: 335 Размер:...
Medicinal Chemistry and Drug Design Название: Medicinal Chemistry and Drug Design Автор: Edited by Deniz Ekinci Издательство: InTech Год: 2012 Формат: PDF Страниц: 416 Размер: 10,15 МБ...
Информация
Посетители, находящиеся в группе Гости, не могут оставлять комментарии к данной публикации.
Навигация
Вход на сайт
Реклама
Computational Studies: From Molecules to Materials 
Название: Computational Studies: From Molecules to Materials
