Search Result "DFT method"
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
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
Exploring Energy Profiles of Protein-Protein Interactions (PPIs) Using DFT Method
Journal: Letters in Drug Design & Discovery
Volume: 16 Issue: 6 Year: 2019 Page: 670-677
Author(s): Sanket Bapat,Renu Vyas,Muthukumarasamy Karthikeyan
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
DFT Study of Interaction between Teriflunomide and β-cyclodextrin
Journal: Current Molecular Medicine
Volume: 24 Issue: 0 Year: 2024 Page: 1-15
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
Investigation of the Adsorption Rubraca Anticancer Drug on the CNT(4,4-8) Nanotube as a Factor of Drug Delivery: A Theoretical Study Based on DFT Method
Journal: Current Molecular Medicine
Volume: 19 Issue: 7 Year: 2019 Page: 473-486
Author(s): Masoome Sheikhi,Siyamak Shahab,Mehrnoosh Khaleghian,Mahin Ahmadianarog,Fatemeh Azarakhshi,Rakesh Kumar
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
The Substation Effect on Energetic Property and Aromatization of Some Benzamide Derivatives: A DFT Study
Journal: Letters in Organic Chemistry
Volume: 13 Issue: 5 Year: 2016 Page: 323-329
Author(s): Reza Soleymani