Search Result "DFT"
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
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
The Photoreaction of Pyrylium Cation with Water: A DFT Study
Journal: Letters in Organic Chemistry
Volume: 19 Issue: 9 Year: 2022 Page: 739-742
Author(s):
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
Synthesis and Mechanistic DFT Studies of Arylhimachalene viaBromination of Himachalenes
Journal: Letters in Organic Chemistry
Volume: 22 Issue: 5 Year: 2025 Page: 343-347
Author(s):
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
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
Author(s):
Doi: 10.2174/9789815196986123010009
Photochemical Dimerization of Indones: A DFT Study
Journal: Letters in Organic Chemistry
Volume: 22 Issue: 4 Year: 2025 Page: 283-291
Author(s):
α-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
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