Search Results

Conceptual Density Functional Theory and Its Application in the Chemical Domain

Download or Read eBook Conceptual Density Functional Theory and Its Application in the Chemical Domain PDF written by Nazmul Islam and published by CRC Press. This book was released on 2018-06-13 with total page 404 pages. Available in PDF, EPUB and Kindle.
Conceptual Density Functional Theory and Its Application in the Chemical Domain
Author :
Publisher : CRC Press
Total Pages : 404
Release :
ISBN-10 : 9781351360241
ISBN-13 : 1351360248
Rating : 4/5 (41 Downloads)

Book Synopsis Conceptual Density Functional Theory and Its Application in the Chemical Domain by : Nazmul Islam

Book excerpt: In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It also includes discussion of some applications in corrosion and conductivity and synthesis studies based on CDFT. The electronic structure principles—such as the electronegativity equalization principle, the hardness equalization principle, the electrophilicity equalization principle, and the nucleophilicity equalization principle, along studies based on these electronic structure principles—are broadly explained. In recent years some novel methodologies have been developed in the field of CDFT. These methodologies have been used to explore mutual relationships between the descriptors of CDFT, namely electronegativity, hardness, etc. The mutual relationship between the electronegativity and the hardness depend on the electronic configuration of the neutral atomic species. The volume attempts to cover almost all such methodology. Conceptual Density Function Theory and Its Application in the Chemical Domain will be an appropriate guide for research students as well as the supervisors in PhD programs. It will also be valuable resource for inorganic chemists, physical chemists, and quantum chemists. The reviews, research articles, short communications, etc., covered by this book will be appreciated by theoreticians as well as experimentalists.


Conceptual Density Functional Theory and Its Application in the Chemical Domain Related Books

Conceptual Density Functional Theory and Its Application in the Chemical Domain
Language: en
Pages: 404
Authors: Nazmul Islam
Categories: Mathematics
Type: BOOK - Published: 2018-06-13 - Publisher: CRC Press

DOWNLOAD EBOOK

In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It also includes discussion
Conceptual Density Functional Theory
Language: en
Pages: 900
Authors: Shubin Liu
Categories: Science
Type: BOOK - Published: 2022-04-13 - Publisher: John Wiley & Sons

DOWNLOAD EBOOK

Conceptual Density Functional Theory A unique resource that combines experimental and theoretical qualitative computing methods for a new foundation of chemical
Chemical Reactivity Theory
Language: en
Pages: 612
Authors: Pratim Kumar Chattaraj
Categories: Science
Type: BOOK - Published: 2009-02-23 - Publisher: CRC Press

DOWNLOAD EBOOK

In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and
Research Methodologies and Practical Applications of Chemistry
Language: en
Pages: 298
Authors: Lionello Pogliani
Categories: Science
Type: BOOK - Published: 2019-05-08 - Publisher: CRC Press

DOWNLOAD EBOOK

This new volume, Research Methodologies and Practical Applications of Chemistry, presents a detailed analysis of current experimental and theoretical approaches
Electron Density
Language: en
Pages: 613
Authors: Pratim Kumar Chattaraj
Categories: Science
Type: BOOK - Published: 2024-09-30 - Publisher: John Wiley & Sons

DOWNLOAD EBOOK

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