| Validation of potential energy distribution by VEDA in vibrational assignment some of β-diketones; comparison of theoretical predictions and experimental vibration shifts upon … V Darugar, M Vakili, SF Tayyari, FS Kamounah Journal of Molecular Graphics and Modelling, 107976, 2021 | 22 | 2021 |
| A first-principles study of aryloxyanthraquinone-based optical molecular switch M Vakili, A Sobhkhizi, V Darugar, A Kanaani, D Ajloo Chemical Physics Letters 686, 140-147, 2017 | 15 | 2017 |
| Tautomerism, molecular structure, intramolecular hydrogen bond, and enol-enol equilibrium of para halo substituted 4,4,4-trifluoro-1-phenyl-1,3-butanedione; Experimental and … RA Vahidreza Darugar, Mohammad Vakili, A-Reza Nekoei, Sayyed Faramarz Tayyari Journal of Molecular Structure 1150, 427-437, 2017 | 15 | 2017 |
| Molecular structure, intramolecular hydrogen bond strength, vibrational assignment, and spectroscopic insight of 4-phenylamino-3-penten-2-one and its derivatives; A theoretical … V Darugar, M Vakili, SF Tayyari, PE Hansen, FS Kamounah Journal of Molecular Liquids, 116035, 2021 | 10 | 2021 |
| Behaviours of antiviral Oseltamivir in different media: DFT and SQMFF calculations M Vakili, E Romano, V Darugar, SA Brandán Journal of Molecular Modeling 27 (12), 1-15, 2021 | 9 | 2021 |
| Electronic transport behavior of 1-(Phenyldiazenyl) naphthalen-2-ol and its derivatives as optical molecular switches; A First-principles approach V Darugar, M Vakili, SF Tayyari Optik, 166475, 2021 | 8 | 2021 |
| Conformations, molecular structure, and N–H⋯ O hydrogen bond strength in 4-Alkylamino-3-penten-2-ones S Soltani-Ghoshkhaneh, M Vakili, AR Berenji, V Darugar, SF Tayyari Journal of Molecular Structure 1203, 127440, 2020 | 7 | 2020 |
| Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study R Afzali, M Vakili, E Boluri, SF Tayyari, AR Nekoei, M Hakimi-Tabar, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 190, 15-22, 2018 | 7 | 2018 |
| Optimized molecular geometry, vibrational analysis, and Fe-O bond strength of Tris (α-cyanoacetylacetonate) iron (III): An experimental and theoretical study F Gandomi, M Vakili, V Darugar, R Takjoo, SF Tayyari Journal of Molecular Structure 1248, 131444, 2022 | 5 | 2022 |
| Synthesis, structure, tautomerism, intramolecular hydrogen bond, and vibrational assignment of 3-nitroso-2, 4-pentanedione: A theoretical and experimental approach M Rakhshanipour, H Jalali, V Darugar, H Eshghi, M Vakili Vibrational Spectroscopy 107, 103036, 2020 | 5 | 2020 |
| Electrical transport and NDR property on the cis-trans photo-isomerization of (1R, 3S)-2, 2-dimethyl-3-(2-methylprop-1-en-1-yl) cyclopropanecarboxylate as an optical molecular … V Darugar, M Vakili, SA Brandán Chemical Physics Letters, 139818, 2022 | 4 | 2022 |
| Voltage–current behavior of 4-phenylamino-3- penten-2-one and its derivatives molecular switch: a first-principles study SFT Vahidreza Darugar, Mohammad Vakili Molecular Simulation, 2021 | 4 | 2021 |
| Conformation, molecular structure, and vibrational assignment of bis (3, 5-heptanedionato) copper (II) S Soltani-Ghockhaneh, M Vakili, SF Tayyari, AR Berenji, V Darugar Journal of Molecular Structure 1197, 443-449, 2019 | 4 | 2019 |
| Electronic transport on the two state “ON–OFF” of 1, 3, 3-trimethylindolino-6′-nitrobenzopyrylospiran as a light-driven molecular optical switch: A first-principle study V Darugar, M Vakili, SA Brandán, S Adli Journal of Molecular Graphics and Modelling, 108420, 2023 | 3 | 2023 |
| Isomerism, conformation, and structure of Bis (4, 4-dimethyl-1-phenylpentane-1, 3-dionato) copper (II); A theoretical and spectroscopy approach R Afzali, M Vakili, V Darugar Journal of Molecular Structure 1227, 129711, 2021 | 3 | 2021 |
| Isomerism, conformation, and structure of Bis (4, 4-dimethyl-1-phenylpentane-1, 3-dionato) copper (II); A theoretical and spectroscopy approach R Afzali, M Vakili, V Darugar Journal of Molecular Structure, 129711, 2020 | 3 | 2020 |
| Application of Hammett equation to intramolecular hydrogen bond strength in para-substituted phenyl ring of trifluorobenzoylacetone and 1-aryl-1, 3-diketone malonates V Darugar, M Vakili, SF Tayyari, FS Kamounah, R Afzali European Journal of Chemistry 9 (3), 213-221, 2018 | 3 | 2018 |
| Correlation Between Parameters Related to Intramolecular Hydrogen Bond Strength and Hammett Constant in Para Substituted Benzoylacetone: A Theoretical and Experimental Study V Darugar, M Vakili, SF Tayyari, H Eshghi, R Afzali Oriental Journal of Chemistry 33 (5), 2579-2590, 2017 | 3 | 2017 |
| Conventional and Unconventional Intramolecular Hydrogen Bonding in some Beta-diketones V Darugar, M Vakili, R Afzali, SF Tayyari Organic Chemistry Research 3 (1), 61-72, 2017 | 3 | 2017 |
| First-principle study of the current-voltage on the β-diketones with alkyl and methoxy groups at the beta position as molecular switches ME Aliabadi, M Vakili, A Kanaani, V Darugar, S Seyedkatouli Chemical Physics Letters, 140152, 2022 | 2 | 2022 |
Mohammad VakiliDepartment of Chemistry Faculty of SciencesVerified email at um.ac.ir
