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Wiley A Chemist's Guide to Density Functional Theory 2e

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Description

A Chemist's Guide to Density Functional Theory 2e from Wiley provides a thorough and clearly written exposition of density functional theory. This text is designed for chemists familiar with conventional quantum mechanics who want to master the basis, concepts, terms, and implementation of DFT. It serves as a practical resource for those performing structure, energy, and molecular property computations. By guiding users toward the most effective methods for reaction mechanism studies, this book helps researchers make optimum choices for their computational needs. It effectively fills a gap in the computational chemist's library with instructive content on DFT performance in diverse applications.

Key Features

This Wiley publication offers a thorough exposition of density functional theory, including its basis, concepts, and implementation.

The text provides guidance on selecting the most effective methods for structure, energy, and molecular property computations.

Users can utilize this guide to improve their studies of reaction mechanisms through optimized method choices.

A Chemist's Guide to Density Functional Theory 2e is written for chemists already familiar with conventional quantum mechanics.

This book by VCH addresses a specific need in the computational chemist's library regarding DFT performance in diverse applications.

Product Specifications

Brand
Wiley
Model
Ill.
Format
paperback
Domain
Amazon UK
Release Date
21 August 2001
Listed Since
16 December 2006

Barcode

No barcode data available

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