Search Result "conceptual density functional theory"


Review Article

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: Perhalopyridines: Synthesis and Synthetic Utility

Volume: 5 Year: 2020
Author(s): Luis R. Domingo,Nivedita Acharjee
Doi: 10.2174/97898114577911200501
Research Article

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

Editorial free to download

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

Review Article

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

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

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

Research Article

Comparative Study of Aromatase Enzyme Inhibition by Synthetic and Natural Ligand: Molecular Modeling and Conceptual DFT Investigation

Journal: Current Enzyme Inhibition
Volume: 14 Issue: 2 Year: 2018 Page: 104-113
Author(s): Mesli Fouzia,Missoum Noureddine,Ghomri Amina,Ghalem Said

The Global Neuronal Workspace Theory and the Adaptive Resonance Theory

Ebook: A Blueprint for the Hard Problem of Consciousness

Volume: 1 Year: 2019
Author(s): Paulo J. Negro
Doi: 10.2174/97816810876651190101

Models of Functional Neuroimaging Data

Journal: Current Medical Imaging Reviews
Volume: 2 Issue: 1 Year: 2006 Page: 15-34
Author(s): Klaas E. Stephan, Jeremie Mattout, Olivier David, Karl J. Friston

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