Please note: In order to keep Hive up to date and provide users with the best features, we are no longer able to fully support Internet Explorer. The site is still available to you, however some sections of the site may appear broken. We would encourage you to move to a more modern browser like Firefox, Edge or Chrome in order to experience the site fully.

Supporting your high street Find out how »
Density Functional Theory Calculations, Hardback Book

Density Functional Theory Calculations Hardback

Edited by Sergio Ricardo De Lazaro, Luis Henrique Da Silveira Lacerda, Renan Augusto Pontes Ribeiro

Hardback

Out of Stock - We are unable to provide an estimated availability date for this product

Description

This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of the last few years.

Since 2000, the DFT has grown exponentially in several computational areas because of its versatility and reliability to calculate energy from electronic density.

The fast DFT’s calculations show how scientists develop more codes focused to simulate molecular and material properties reaching better conclusions than with previous theories.

More powerful computers and lower computational costs have certainly assisted the increased growth of interest in this theory.

Each chapter presents a specific subject contributing to a vision of the great potential of the quantum/DFT simulations in high pressure, chemical reactivity, ionic liquid, chemoinformatic, molecular docking, and non-equilibrium state.

Information

£119.00

Out of Stock - We are unable to provide an estimated availability date for this product
Add to Basket
Sign in to add to wishlist
 
Free Home Delivery

on all orders

 
Pick up orders

from local bookshops

Information