| Quantum chemical modeling of new derivatives of (E, E)-azomethines: Synthesis, spectroscopic (FT-IR, UV/Vis, polarization) and thermophysical investigations S Shahab, M Sheikhi, L Filippovich, DE Anatol’evich, H Yahyaei Journal of Molecular Structure 1137, 335-348, 2017 | 78 | 2017 |
| Adsorption properties of the molecule resveratrol on CNT (8, 0-10) nanotube: Geometry optimization, molecular structure, spectroscopic (NMR, UV/Vis, excited state), FMO, MEP … M Sheikhi, S Shahab, M Khaleghian, FH Hajikolaee, I Balakhanava, ... Journal of Molecular Structure 1160, 479-487, 2018 | 76 | 2018 |
| Polarization, excited states, trans-cis properties and anisotropy of thermal and electrical conductivity of the 4-(phenyldiazenyl) aniline in PVA matrix S Shahab, L Filippovich, M Sheikhi, R Kumar, E Dikusar, H Yahyaei, ... Journal of Molecular Structure 1141, 703-709, 2017 | 71 | 2017 |
| Interaction between new anti-cancer drug syndros and CNT (6, 6-6) nanotube for medical applications: geometry optimization, molecular structure, spectroscopic (NMR, UV/Vis … M Sheikhi, S Shahab, M Khaleghian, R Kumar Applied Surface Science 434, 504-513, 2018 | 69 | 2018 |
| Synthesis, geometry optimization, spectroscopic investigations (UV/Vis, excited states, FT-IR) and application of new azomethine dyes S Shahab, M Sheikhi, L Filippovich, R Kumar, E Dikusar, H Yahyaei, ... Journal of Molecular Structure 1148, 134-149, 2017 | 58 | 2017 |
| The electronic and structural properties of BN and BP nano-cages interacting with OCN−: a DFT study A Soltani, MT Baei, M Mirarab, M Sheikhi, ET Lemeski Journal of Physics and Chemistry of Solids 75 (10), 1099-1105, 2014 | 57 | 2014 |
| Quantum chemical investigations on phenyl-7, 8-dihydro-[1, 3]-dioxolo [4, 5-g] quinolin-6 (5h)-one M Sheikhi, D Sheikh Rev. Roum. Chim 59 (9), 761-767, 2014 | 55 | 2014 |
| Three-component synthesis of electron-poor alkenes using isatin derivatives, acetylenic esters, triphenylphosphine and theoretical study M Sheikhi, D Sheikh, A Ramazani South African Journal of Chemistry 67, 143–150-143–150, 2014 | 53 | 2014 |
| Interaction between new synthesized derivative of (E, E)-azomethines and BN (6, 6-7) nanotube for medical applications: Geometry optimization, molecular structure … M Sheikhi, S Shahab, L Filippovich, M Khaleghian, E Dikusar, ... Journal of Molecular Structure 1146, 881-888, 2017 | 52 | 2017 |
| Perlite-SO3H nanoparticles as an efficient and reusable catalyst for one-pot three-component synthesis of 1, 2-dihydro-1-aryl-naphtho [1, 2-e][1, 3] oxazine-3-one derivatives … A Ramazani, M Rouhani, E Mirhadi, M Sheikhi, K Ślepokura, T Lis Nanochemistry Research 1 (1), 87-107, 2016 | 45 | 2016 |
| New derivatives of (E, E)-azomethines: Design, quantum chemical modeling, spectroscopic (FT-IR, UV/Vis, polarization) studies, synthesis and their applications: Experimental … M Sheikhi, S Shahab, L Filippovich, H Yahyaei, E Dikusar, M Khaleghian Journal of Molecular Structure 1152, 368-385, 2018 | 44 | 2018 |
| DFT study on the selective complexation of meso-2, 3-dimercaptosuccinic acid with toxic metal ions (Cd2+, Hg2+ and Pb2+) for pharmaceutical and biological applications S Kaviani, S Shahab, M Sheikhi, M Ahmadianarog Journal of Molecular Structure 1176, 901-907, 2019 | 41 | 2019 |
| Adsorption of alprazolam drug on the B12N12 and Al12N12 nano-cages for biological applications: A DFT study S Kaviani, S Shahab, M Sheikhi Physica E: Low-dimensional Systems and Nanostructures 126, 114473, 2021 | 39 | 2021 |
| Application of supported Mn (III), Fe (III) and Co (II) as heterogeneous, selective and highly reusable nano catalysts for synthesis of arylaminotetrazoles, and DFT studies of … D Habibi, AR Faraji, D Sheikh, M Sheikhi, S Abedi RSC Advances 4 (88), 47625-47636, 2014 | 36 | 2014 |
| Adsorption properties of the new anti-cancer drug alectinib on CNT (6, 6-6) nanotube: geometry optimization, molecular structure, spectroscopic (NMR, UV/Vis, excited state … M Sheikhi, S Shahab, R Alnajjar, M Ahmadianarog Journal of Cluster Science 30, 83-96, 2019 | 35 | 2019 |
| A DFT study of Se-decorated B12N12 nanocluster as a possible drug delivery system for ciclopirox S Kaviani, S Shahab, M Sheikhi, V Potkin, H Zhou Computational and Theoretical Chemistry 1201, 113246, 2021 | 33 | 2021 |
| Design of geometry, synthesis, spectroscopic (FT-IR, UV/Vis, excited state, polarization) and anisotropy (thermal conductivity and electrical) properties of new synthesized … S Shahab, M Sheikhi, L Filippovich, E Dikusar, H Yahyaei, R Kumar, ... Journal of Molecular Structure 1157, 536-550, 2018 | 32 | 2018 |
| Spectroscopic (polarization, excitedstate, FT-IR, UV/Vis and 1H NMR) and thermophysical investigations of new synthesized azo dye and its application in polarizing film SN Shahab, L Filippovich, M Sheikhi, H Yahyaei, M Aharodnikoval, ... American Journal of Materials Synthesis and Processing 2 (2), 17-23, 2017 | 31 | 2017 |
| Selective oxidation of oximes to their corresponding carbonyl compounds by sym-collidinium chlorochromate (S-COCC) as a efficient and novel oxidizing agent and theoretical … L Shiri, D Sheikh, A Reza Faraji, M Sheikhi, S Abdollah Seyed Katouli Letters in Organic Chemistry 11 (1), 18-28, 2014 | 31 | 2014 |
| Triazavirin-potential inhibitor for 2019-nCoV Coronavirus M protease: a DFT study S Shahab, M Sheikhi Current molecular medicine 21 (8), 645-654, 2021 | 24 | 2021 |
Siyamak Shahab (Сиямак Шахаб)International Sakharov Environmental University Minsk, BelarusVerified email at iseu.by
