Search Result "C. DFT"
Understanding the Reactions of Aryl Iodides with Alkynes to Give New C-C and C-I Bonds: A DFT Study
Journal: Current Organic Chemistry
Volume: 18 Issue: 12 Year: 2014 Page: 1661-1671
Author(s): Siwei Bi,Hongliang Wang,Yuxia Liu,Xu Yang
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):
Investigation of Adsorption Effect of Carbon Monoxide on Coniine:A DFT Study
Journal: Letters in Organic Chemistry
Volume: 19 Issue: 4 Year: 2022 Page: 298-313
Author(s): Siyamak Shahab,Masoome Sheikhi,Mehrnoosh Khaleghian,Marina Murashko,Mahin Ahmadianarog,Mikhail Atroshko
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
Influence of Dispersion Interactions in the Diels-Alder Reaction of Cyclopentadiene,Anthracene and Tetracene with C60: A DFT Examination
Journal: Current Organic Chemistry
Volume: 27 Issue: 21 Year: 2023 Page: 1909-1915
Author(s): Alexey N. Masliy,Andrey M. Kuznetsov
Theoretical Study of Adsorption of Solriamfetol Drug on Surface of the B12N12 Fullerene: A DFT/TD-DFT Approach
Journal: Letters in Organic Chemistry
Volume: 18 Issue: 2 Year: 2021 Page: 115-127
Author(s): Hooriye Yahyaei,Shamsa Sharifi,Siyamak Shahab,Masoome Sheikhi,Mahin Ahmadianarog
Triazavirin - Potential Inhibitor for 2019-nCoV Coronavirus M Protease: A DFT Study
Journal: Current Molecular Medicine
Volume: 20 Issue: 0 Year: 2020 Page: 1-10
Author(s): Siyamak Shahab,Masoome Sheikhi