This book is a guide for researchers, academics and experimentalists who wish to explore density functional theory (DFT) on selected molecular systems. The sali

DFT-Based Studies On Atomic Clusters explores the structures, properties, and applications of a variety of atomic clusters using density functional theory (DFT)

The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dyn

Comprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease example

Discover theoretical, methodological, and applied perspectives on electron density studies and density functional theory Electron density or the single particle