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Reviews “Conceptual density functional theory (conceptual DFT) is a DFT-subfield in which relevant electron density concepts and principles that make it possible to understand and predict the chemical behavior of a molecule are extracted. Therefore, this book is very essential in the understanding of how DFT principles are applied to chemical systems. It is written by experts who themselves have contributed immensely in the field of conceptual DFT. The book covers a wide range of applications of conceptual DFT and other advanced topics such as basic theory of conceptual DFT, chemical reactivity, modeling of chemical reactions, design of corrosion inhibitors for corrosion control, calculation of proton affinity, gas-phase basicity, and enthalpy of deprotonation of polyfunctional compounds, and molecular similarity, among others. All the steps involved in most of the mathematical derivations of the basic theories of conceptual DFT are presented in detail, leaving no ambiguity. Illustrative examples of practical applications of conceptual DFT to chemical domain are given throughout the book for easy comprehension. This book is a must read for chemists, physicists, corrosion scientists, chemical engineers, computational material scientists, and all those working on mathematical physical aspects of problems.” —Ime B. Obot, Professor, Center of Research Excellence in Corrosion, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia Now Available in Paperback 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 Functional 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. Key features
CONTENTS: About the Authors / Editors: Editors: Nazmul Islam, PhD Professor, Department of Basic Sciences & Humanities, Techno Global-Balurghat, Balurghat, D. Dinajpur, India Nazmul Islam, PhD, is now working as an assistant professor in the Department of Basic Sciences and Humanities at Techno Global-Balurghat (now Techno India-Balurghat), Balurghat, D. Dinajpur, India. He has published more than 60 research papers in several prestigious peer-reviewed journals and has written many book chapters and research books. In addition, he is the editor-in-chief of The SciTech, Journal of Science and Technology, The SciTech, International Journal of Engineering Sciences, and the Signpost Open Access Journal of Theoretical Sciences. He also serves as a member on the editorial boards of several journals. Dr. Islam’s research interests are in theoretical chemistry, particularly quantum chemistry, conceptual density functional theory (CDFT), periodicity, SAR, QSAR/QSPR study, drug design, HMO theory, biological function of chemical compounds, quantum biology, nanochemistry, and more. SavaÅŸ Kaya, PhD Lecturer, Imranli Vocational School, Cumhuriyet University, Turkey SavaÅŸ Kaya, PhD, is a lecturer at the Imranlı Vocational School, Cumhuriyet University. His research is mainly focused on Density Functional Theory, theoretical chemistry, physical inorganic chemistry. He has authored many theoretical papers related to quantum chemical parameters, corrosion science, and chemical equalization principles. He completed his MSc degree in the field of theoretical inorganic chemistry in Cumhuriyet University Science Institute and then went on to pursue his PhD education under the guidance of Professor Dr. Cemal Kaya. |
Follow us for the latest from Apple Academic Press: AAP WELCOMES PROF. MOHAMMED KUDDUS, PhD, AS AAP’S NEW ACQUISITIONS EDITOR for books on biotechnology, enzymology, microbiology, bioinformatics, bioremediation, biomedical technology, value-added products etc. Dr. Kuddus is Head of the Department of Biochemistry at the College of Medicine, University of Hail, Kingdom of Saudi Arabia. He is listed in Elsevier/Stanford University World’s Top 2% Scientists. He seeks book proposals from potential editors to consider for publication with Apple Academic Press. Contact: kuddus@appleacademicpress.com for more information.
AAP welcomes Dr. Maulin P. Shah as AAP’s new acquisitions editor for books on Applied Microbiology, Environmental Biotechnology and Waste Management. Dr. Shah, a Scientist in the Industrial Wastewater Research Lab at Enviro Technology Ltd., India. seeks book proposals to consider for these topics and related areas: applied microbiology, environmental biotechnology and waste management, including environmental pollution, wastewater treatment, bioenergy, biofuel, circular economy, leachate treatment activated sludge process, environmental microbiology, agricultural microbiology, advance oxidation process, bio-electrochemical systems, bacterial genomics for wastewater treatment, and heavy metal remediation. maulinshah1979@gmail.com for more information. AAP is pleased to announce Shrikaant Kulkarni, PhD, as our new Senior Commissioning Editor for books in the areas of Polymer Sciences, Chemical Sciences, Nuclear Sciences, and Material Sciences. Dr. Kulkarni is Adjunct Professor, Faculty of Business, Victorian Institute of Technology, Melbourne, Australia; and Adjunct Professor, Centre of Research Outcome and Impact, Chitkara University, Punjab, India. You can reach him at Email: srkulkarni21@gmail.com for more information. New Book Series: AAP Series on Waste Biomass Valorization will explore the transformation of biomass resources into valuable products, addressing the growing need for sustainable alternatives to fossil fuels and non-renewable resources. For more information and to propose a book, please visit: Click here Congratulations to Hafiz Ansar Rasul Suleria, PhD, for receiving the Dean’s Award for Excellence in Research from the University of Melbourne, Australia, in recognition for his exceptional performance and strong commitment to advanced research in food science. Dr. Suleria is editor of AAP’s book series Innovations in Plant Science for Better Health: From Soil to Fork. For more information, visit: Click here Congratulations to Dr. Christian Mancas. His book Conceptual Data Modeling and Database Design: A Fully Algorithmic Approach was one of the 6 Best Data Modeling ebooks for Beginners by BookAuthority, a leading site for book recommendations. For more information, visit: Click here COMMENTS FROM AAP EDITORS AND AUTHORS AAP book title: Advances in Audiology and Hearing Science (2-volume set) “I have collaborated with AAP during the process of bringing my two-volume editing work to a final publishing phase. AAP support has been truly important throughout the initial and final stages of the book. While the majority of the publishing work is done at the early stages, the final touches that include the last-minute corrections of the authors are extremely crucial to the quality the book tries to convey. 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I would like again to thank the team at AAP for all their hard work and support.” —David Schmool, PhD, Director, Groupe d’Etude de la Matière Condensée GEMaC, National Centre for Scientific Research, Université de Versailles/Saint-Quentin, Université Paris-Saclay,Versailles, France AAP book title: Physiology of Molluscs (2-volume set) “I have enjoyed the full benefit of support, encouragement, and kindness from the members of AAP I have had the pleasure of being associated with. In the same vein, I hope AAP was satisfied with the book series I have edited in advancing the knowledge. It has been a great journey and was a great pleasure and satisfaction. Advancing scholarship through publications is one of the best routes publishers can take, and I would hold AAP as one of the best ones.” —Saber Saleuddin, PhD, University Professor Emeritus, Department of Biology, York University in Toronto, Ontario, Canada AAP book title: Green Chemistry and Sustainable Technology: Biological, Pharmaceutical, and Macromolecular Systems “It had been my pleasure to work with the production team of Apple Academic Press for almost a decade. The best presentation of our work was due to their hard work and with careful scrutiny. I am sure that every one of them takes extra pains to publish the book nicely, maintaining the quality and timeliness. It was a rewarding experience to work with AAP. I would like to publish more with AAP on my upcoming projects in future also.” —Prof. Suresh C. Ameta, Professor of Eminence (Distinguished Professor), Faculty of Science, PAHER University, UDAIPUR, India AAP book title: New Frontiers in Nanochemistry, 3-volume set, plus many others "Publishing a book, either as author or editor, is a journey from the initial vibration to the piece of knowledge towards the present future of humanity at large. Such a journey is about climbing and tunneling, about diving and driving through, about inspiration and tuning, about hard working in every instance; and it is also about time. Very few Global Publishers have the wisdom and patience and kindness and openness to authors, contributors, and readers while being truly crafting oriented as Apple Academic; yet all is about people and their education, vision and assumed mission; the Apple Academic Team heartily succeed that in achieving the world class scholarly acclaim by the quality involvement in all chain of plus value added with each publishing event. Hearty Compliments! Excelsior Apple Academic!" —Mihai V. Putz, PhD, Dr.-Habil., MBA, Professor, Faculty of Chemistry, Biology, Geography, Laboratory of Computational and Structural Physical Chemistry for Nanosciences and QSAR, West University of Timi?oara; PI-1, Laboratory of Renewable Energies - Photovoltaics, National Research and Development Institute for Electrochemistry and Condensed Matter (INCEM), Timi?oara, Romania AAP book title: The Chemical Century: Molecular Manipulation and Its Impact on the 20th Century “All my experiences with AAP have been very positive. I entrusted AAP with the publication of The Chemical Century: Molecular Manipulation and Its Impact on the 20th Century and found the quality of the book that they produced to be excellent. My two contacts at the company were very responsive and efficient throughout the publication process.” —Richard J. Sundberg, PhD, Professor of Chemistry, University of Virginia, Charlottesville, Virginia, USA AAP book titles: Medical Tourism and Wellness: Hospitality Bridging Healthcare (H2H)© and Medical Travel Brand Management: Success Strategies for Hospitality Bridging Healthcare (H2H) “I have enjoyed my scholarly creative work with Apple Academic Press. They have been timely, creative, and very helpful for my two books with them. I encourage you to consider publishing your work with AAP.” —Frederick DeMicco, PhD, RDN, Executive Director and Professor School of Hotel and Restaurant Management, Northern Arizona University, Flagstaff, Arizona AAP book title: The Chemical Evolution of Phosphorus: An Interdisciplinary Approach to Astrobiology “I’m very pleased with the books you have edited. It shows a very good and careful work by everyone involved along the whole production process, and so the final result is a beautiful piece: it has come out as a very nice and appealing book, easy to handle and read, .... and hopefully of interest for people from diverse related fields!” —Enrique Macia-Barber, PhD, Professor of Condensed Matter Physics, Universidad Complutense de Madrid, Spain |