عنوان

Conceptual density functional theory and its application in the chemical domain /

(Number (ISBN

0203711394

(Number (ISBN

1351360221

(Number (ISBN

135136023X

(Number (ISBN

177188665X

(Number (ISBN

9780203711392

(Number (ISBN

9781351360227

(Number (ISBN

9781351360234

(Number (ISBN

9781771886659

Erroneous ISBN

1351360248

Erroneous ISBN

9781351360241

Erroneous ISBN

9781771886659

Title Proper

Conceptual density functional theory and its application in the chemical domain /

General Material Designation

[Book]

First Statement of Responsibility

edited by Nazmul Islam, PhD, Savas Kaya, PhD.

Place of Publication, Distribution, etc.

Waretown, NJ :

Name of Publisher, Distributor, etc.

Apple Academic Press Inc.,

Date of Publication, Distribution, etc.

2018.

Specific Material Designation and Extent of Item

1 online resource (xvii, 403 pages)

Text of Note

Includes bibliographical references and index.

Text of Note

Safi Ionization Energies of Atoms of 103 Elements of Periodic Table Using Semiemprical and DFT Methods Nazmul Islam, Savaş Kaya, and Dulal C. Ghosh Molecular Similarity from Manifold Learning on D2-Property Images Farnaz Heidar-Zadeh and Paul W. Ayers.

0

Text of Note

"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 principlessuch 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 principlesare 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."--Provided by publisher.

Source for Acquisition/Subscription Address

Ingram Content Group

Stock Number

9781351360234

Title

Conceptual density functional theory and its application in the chemical domain.

International Standard Book Number

9781771886659

Chemistry.

Density functionals.

Quantum chemistry.

Chemistry.

Density functionals.

Quantum chemistry.

SCIENCE-- Chemistry-- Physical & Theoretical.

MAT000000

SCI-- 013050

SCI013050

UB

Number

Edition

Class number

Book number

Class number

Class number

System Code

System Code

Islam, Nazmul

Kaya, Savaş

Date of Transaction

20200822093838.0

Cataloguing Rules (Descriptive Conventions))

pn

Electronic name

[Book]

Y