Search Result "conceptual density functional theory"
Conceptual Density Functional Theory of Chemical Reactivity
Ebook: Advances in Mathematical Chemistry and Applications
Volume: 1 Year: 2014
Author(s): Pratim K. Chattaraj,Debesh R. Roy
Doi: 10.2174/9781608059287114010013
Conceptual Density Functional Theory of Chemical Reactivity
Ebook: Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition)
Volume: 1 Year: 2015
Author(s): Pratim K. Chattaraj,Debesh R. Roy
Doi: 10.2174/9781681081977115010013
On the Application of Conceptual Density Functional Theory to Atomic and Molecular Domain
Journal: Current Physical Chemistry
Volume: 7 Issue: 2 Year: 2017 Page: 85-93
Author(s): Nazmul Islam
Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry
Ebook: Frontiers in Computational Chemistry
Volume: 5 Year: 2020
Author(s): Luis R. Domingo,Nivedita Acharjee
Doi: 10.2174/9789811457791120050007
Conceptual Density Functional Theoretical Investigation of the Corrosion Inhibition Efficiencies of Some Molecules Containing Mercapto (-SH) Group
Journal: Current Physical Chemistry
Volume: 7 Issue: 2 Year: 2017 Page: 147-153
Author(s): Savas Kaya,Burak Tüzün,Cemal Kaya
Conceptual Issues in Psychiatric Neuroimaging: An Update
Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 21 Year: 2012 Page: 2348-2356
Author(s): D. Stoyanov,G. Stanghellini,M. Broome
Editorial: Conceptual Density Functional Theory: Its Grand Application to Atomic and Molecular Domain
Journal: Current Physical Chemistry
Volume: 7 Issue: 2 Year: 2017 Page: 83-84
Author(s): Nazmul Islam
Quantum Chemistry in Drug Design: Density Function Theory (DFT) and Other Quantum Mechanics (QM)-related Approaches
Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010010
Regio- and Stereoselectivity of the 1,3-Dipolar Cycloaddition of Pyridinium-3-olates and Pyrazinium-3-olates with Methyl Methacrylate: A Density Functional Theory Exploration
Journal: Current Organic Chemistry
Volume: 16 Issue: 14 Year: 2012 Page: 1711-1722
Author(s): Lydia Rhyman,Hassan H. Abdallah,Sabina Jhaumeer-Laulloo,Luis R. Domingo,John A. Joule,Ponnadurai Ramasami
Evaluation of the Protonation Energy of Molecules using Conceptual Density Functional Theoretical Reactivity Descriptors
Journal: Current Physical Chemistry
Volume: 7 Issue: 2 Year: 2017 Page: 126-132
Author(s): Sandip K. Rajak,Nazmul Islam,Dulal C. Ghosh