Open access peer-reviewed Edited Volume

Density Functional Theory - Recent Advances, New Perspectives and Applications

Daniel Glossman-Mitnik

Centro de Investigación en Materiales Avanzados

Dr. Daniel Glossman-Mitnik is a Titular Researcher at Centro de Investigación en Materiales Avanzados (CIMAV), as well as a Level-III National Researcher for the Consejo Nacional de Ciencia y Tecnología, Mexico. His is also a senior member of Sociedad Química de Mexico and American Chemical Society.

Covering

Density Functional Theory Density Functional Basis Set Electronic Structure Molecular Property Conceptual DFT Chemical Reactivity Molecular Descriptor Drug Discovery Computational Model Health Application Industry Application

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About the book

Density Functional Theory (or DFT for short) is a potent methodology useful for the calculation of the molecular and electronic structure of atoms, molecules, clusters, and solids, both in gas phase or in solution. The research in this area goes from the discovery of new computational methods based on the design of accurate density functionals to the application of this methodology for the prediction of the chemical and physical properties of the studied systems. Its use relies not only in the ability to calculate the molecular properties of the species of interest, but also in providing interesting concepts that allow a better comprehension of the chemical reactivity of the systems under consideration.

This book aims to include examples on some recent advances, new perspectives, and current and potential applications of DFT for the understanding of the chemical reactivity of useful systems, as well as comprehensive overviews of the current scientific developments in this important field.

Publishing process

Book initiated and editor appointed

Date completed: April 23rd 2021

Applications to edit the book are assessed and a suitable editor is selected, at which point the process begins.

Chapter proposals submitted and reviewed

Deadline for chapter proposals: May 21st 2021

Potential authors submit chapter proposals ready for review by the academic editor and our publishing review team.

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Approved chapters written in full and submitted

Deadline for full chapters: July 20th 2021

Once approved by the academic editor and publishing review team, chapters are written and submitted according to pre-agreed parameters

Full chapters peer reviewed

Review results due: October 8th 2021

Full chapter manuscripts are screened for plagiarism and undergo a Main Editor Peer Review. Results are sent to authors within 30 days of submission, with suggestions for rounds of revisions.

Book compiled, published and promoted

Expected publication date: December 7th 2021

All chapters are copy-checked and typesetted before being published. IntechOpen regularly submits its books to major databases for evaluation and coverage, including the Clarivate Analytics Book Citation Index in the Web of ScienceTM Core Collection. Other discipline-specific databases are also targeted, such as Web of Science's BIOSIS Previews.

About the editor

Daniel Glossman-Mitnik

Centro de Investigación en Materiales Avanzados

Dr. Daniel Glossman-Mitnik has a Degree in Chemistry from University of Buenos Aires and a Ph.D. in Physical Chemistry from National University of La Plata. He has done postdoctoral studies at UNC (USA), UPR (Puerto Rico), and UVA (Spain). He is a Titular Researcher at Centro de Investigación en Materiales Avanzados (CIMAV), Chihuahua, Mexico, as well as a Level-III National Researcher for the Consejo Nacional de Ciencia y Tecnología, Mexico. He also participates as a Visiting Professor at Universitat de les Illes Balears, Palma de Mallorca, Spain. His research interest focuses on Computational Chemistry and Molecular Modeling of molecular systems useful for pharmacological, health, food, and alternative energy applications by resorting to Density Functional Theory (DFT) and Conceptual DFT. He has authored and coauthored more that 250 peer-reviewed papers and 25 book chapters as well as having edited 2 books. He has delivered speeches at many international and domestic conferences, and he serves as a referee for more than 80 international journals, books and research proposals.

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Introducing your Author Service Manager

Mrs. Sara Gojević-Zrnić

As an Author Service Manager my responsibilities include monitoring and facilitating all publishing activities for authors and editors. From chapter submission and review, to approval and revision, copyediting and design, until final publication, I work closely with authors and editors to ensure a simple and easy publishing process. I maintain constant and effective communication with authors, editors and reviewers, which allows for a level of personal support that enables contributors to fully commit and concentrate on the chapters they are writing, editing, or reviewing. I assist authors in the preparation of their full chapter submissions and track important deadlines and ensure they are met. I help to coordinate internal processes such as linguistic review, and monitor the technical aspects of the process. As an ASM I am also involved in the acquisition of editors. Whether that be identifying an exceptional author and proposing an editorship collaboration, or contacting researchers who would like the opportunity to work with IntechOpen, I establish and help manage author and editor acquisition and contact.

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