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A Comprehensive DFT Study on a Thione Compound and its Tautomer

Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010008

Applications of DFT on Molecular Systems: How Gaussian Works

Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010004

Research Article

The Photoreaction of Pyrylium Cation with Water: A DFT Study

Journal: Letters in Organic Chemistry
Volume: 19 Issue: 9 Year: 2022 Page: 739-742
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DFT Studies on Intermediates for Sizeable Endohedral Metallofullerenes

Ebook: DFT-Based Studies On Atomic Clusters
Volume: 1 Year: 2024
Author(s): Ambrish Kumar Srivastava
Doi: 10.2174/9789815274042124010006

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

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Research Article

DFT Study of Interaction between Teriflunomide and Î²-cyclodextrin

Journal: Current Molecular Medicine
Volume: 24 Issue: 0 Year: 2024 Page: 1-15
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Computational Aspects of Organochlorine Compounds: DFT Study and Molecular Docking Calculations

Ebook: Computational Toxicology for Drug Safety and a Sustainable Environment
Volume: 1 Year: 2023
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Doi: 10.2174/9789815196986123010009

Î±-Glucosidase activity of oleanolic acid and its oxidative metabolites: DFT and Docking studies

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 15 Issue: 14 Year: 2015 Page: 1148-1158
Author(s): El Hassane Anouar,Nur Shahidatul Shida Zakaria,Ali Alsalme,Syed Adnan Ali Shah

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DFT Study on an Unnatural Amino Acid: 4- Hydroxyproline

Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010006

Mini-Review Article

DFT Study of the Mechanisms of Transition-Metal-Catalyzed Reductive Coupling Reactions

Journal: Current Organic Chemistry
Volume: 24 Issue: 12 Year: 2020 Page: 1367-1383
Author(s): Yuling Wang,Qinghua Ren

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