Srivastava A Computational Studies From Molecules to Materials 2025
General:
Name: Srivastava A Computational Studies From Molecules to Materials 2025
Format: pdf
Size: 16.47 MB
Book:
Title: Computational Studies; From Molecules to Materials
Author: Ambrish Kumar Srivastava
Language: angielski
Year: 2024
Subjects: Science, Technology, Chemistry, Nonfiction
Publisher: CRC Press
ISBN: 9781032528540
Total pages: 293
Description:
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.
Download from RapidGator
https://rapidgator.net/file/c6b1a61668b8b865b1a4047042d530e9/37chm2ypq9xw7104a5ge9t.pdf