| Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and pKa Values of Thiols S Mirzaei, MV Ivanov, QK Timerghazin The Journal of Physical Chemistry A 123 (44), 9498-9504, 2019 | 46 | 2019 |
| Highly Selective Synthesis of Pillar[n]arene (n = 5, 6) S Mirzaei, D Wang, SV Lindeman, CM Sem, R Rathore Organic letters 20 (20), 6583-6586, 2018 | 29 | 2018 |
| Conjugated molecular nanotubes S Mirzaei, E Castro, R Hernandez Sanchez Chemistry–A European Journal 27 (34), 8642-8655, 2021 | 28 | 2021 |
| Predicting the regioselectivity of nucleophilic addition to arynes using frontier molecular orbital contribution analysis S Mirzaei, H Khosravi Tetrahedron Letters 58 (34), 3362-3365, 2017 | 23 | 2017 |
| Comprehensive insights into the structure and coordination behavior of thiosemicarbazone ligands: a computational assessment of the E–Z interconversion mechanism during … MH Khalilian, S Mirzaei, AA Taherpour New Journal of Chemistry 39 (12), 9313-9324, 2015 | 22 | 2015 |
| Regioselectivity in the Scholl Reaction: Mono and Double [7] Helicenes MM Hossain, K Thakur, MR Talipov, SV Lindeman, S Mirzaei, R Rathore Organic Letters 23 (13), 5170-5174, 2021 | 18 | 2021 |
| The simulation of UV spectroscopy and electronic analysis of temozolomide and dacarbazine chemical decomposition to their metabolites MH Khalilian, S Mirzaei, AA Taherpour Journal of molecular modeling 22, 1-9, 2016 | 17 | 2016 |
| Mechanism-based inactivation of cytochrome P450 enzymes: computational insights MS Mirzaei, MV Ivanov, AA Taherpour, S Mirzaei Chemical Research in Toxicology 34 (4), 959-987, 2021 | 15 | 2021 |
| 2-Picolinic acid as a naturally occurring hydrogen bond donor for the preparation of cyclic carbonates from terminal/internal epoxides and CO 2 A Rostami, A Ebrahimi, M Al-Jassasi, S Mirzaei, A Al-Harrasi Green Chemistry 24 (23), 9069-9083, 2022 | 14 | 2022 |
| Tubularenes S Mirzaei, E Castro, RH Sánchez Chemical Science 11 (31), 8089-8094, 2020 | 14 | 2020 |
| Mechanistic study of the hydrolytic degradation and protonation of temozolomide S Mirzaei, MH Khalilian, AA Taherpour RSC Advances 5 (51), 41112-41119, 2015 | 14 | 2015 |
| Nonspherical anion sequestration by C–H hydrogen bonding S Mirzaei, VME Castro, RH Sánchez Chemical Science 13 (7), 2026-2032, 2022 | 12 | 2022 |
| An electron-transfer induced conformational transformation: from non-cofacial “sofa” to cofacial “boat” in cyclotetraveratrylene (CTTV) and formation of charge transfer complexes D Wang, MV Ivanov, S Mirzaei, SV Lindeman, R Rathore Organic & Biomolecular Chemistry 16 (31), 5712-5717, 2018 | 11 | 2018 |
| Synthesis of Spiro[chromene-imidazo[1,2-a]pyridin]-3′-imines via 6-exo-dig Cyclization Reaction B Nayebzadeh, K Amiri, H Khosravi, S Mirzaei, F Rominger, D Dar’in, ... The Journal of organic chemistry 86 (19), 13693-13701, 2021 | 9 | 2021 |
| π-Extended dibenzo [g, p] chrysenes MM Hossain, MS Mirzaei, SV Lindeman, S Mirzaei, R Rathore Organic Chemistry Frontiers 8 (11), 2393-2401, 2021 | 8 | 2021 |
| Molecular Actuators in Action: Electron-Transfer-Induced Conformation Transformation in Cofacially Arrayed Polyfluorenes D Wang, MR Talipov, MV Ivanov, S Mirzaei, SV Lindeman, S Cai, ... The Journal of Physical Chemistry Letters 9 (15), 4233-4238, 2018 | 8 | 2018 |
| Mechanistic study of allopurinol oxidation using aldehyde oxidase, xanthine oxidase and cytochrome P450 enzymes S Mirzaei, AA Taherpour, S Mohamadi RSC advances 6 (111), 109672-109680, 2016 | 8 | 2016 |
| Radially Oriented [n]Cyclo-meta-phenylenes E Castro, S Mirzaei, R Hernandez Sanchez Organic Letters 23 (1), 87-92, 2020 | 7 | 2020 |
| Electron‐Transfer‐Induced Self‐Assembly of a Molecular Tweezer Platform K Thakur, D Wang, S Mirzaei, R Rathore Chemistry–A European Journal 26 (62), 14085-14089, 2020 | 7 | 2020 |
| Predicting the regioselectivity of arynes: a simple model based on orbital electronegativity S Mirzaei, H Khosravi New Journal of Chemistry 43 (3), 1130-1133, 2019 | 7 | 2019 |
Raúl Hernández SánchezNorman Hackerman Welch Young Investigator Junior Chair, Assistant Professor at Rice University在 rice.edu 的电子邮件经过验证
