| Fundamental gaps of condensed-phase organic semiconductors from single-molecule calculations using polarization-consistent optimally tuned screened range-separated hybrid … S Bhandari, MS Cheung, E Geva, L Kronik, BD Dunietz Journal of Chemical Theory and Computation 14 (12), 6287-6294, 2018 | 93 | 2018 |
| Quantitative accuracy in calculating charge transfer state energies in solvated molecular complexes using a screened range separated hybrid functional within a polarized … S Bhandari, BD Dunietz Journal of Chemical Theory and Computation 15 (8), 4305-4311, 2019 | 60 | 2019 |
| Screened range-separated hybrid functional with polarizable continuum model overcomes challenges in describing triplet excitations in the condensed phase using TDDFT K Begam, S Bhandari, B Maiti, BD Dunietz Journal of Chemical Theory and Computation 16 (5), 3287-3293, 2020 | 33 | 2020 |
| Enhancing charge mobilities in organic semiconductors by selective fluorination: a design approach based on a quantum mechanical perspective B Maiti, A Schubert, S Sarkar, S Bhandari, K Wang, Z Li, E Geva, ... Chemical Science 8 (10), 6947-6953, 2017 | 26 | 2017 |
| Efficient charge generation via hole transfer in dilute organic donor–fullerene blends Y Song, A Schubert, X Liu, S Bhandari, SR Forrest, BD Dunietz, E Geva, ... The Journal of Physical Chemistry Letters 11 (6), 2203-2210, 2020 | 23 | 2020 |
| Excitonic interactions in bacteriochlorin homo-dyads enable charge transfer: A new approach to the artificial photosynthetic special pair C McCleese, Z Yu, NN Esemoto, C Kolodziej, B Maiti, S Bhandari, ... The Journal of Physical Chemistry B 122 (14), 4131-4140, 2018 | 22 | 2018 |
| Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives B Maiti, K Wang, S Bhandari, SD Bunge, RJ Twieg, BD Dunietz Journal of Materials Chemistry C 7 (13), 3881-3888, 2019 | 19 | 2019 |
| What is the optoelectronic effect of the capsule on the guest molecule in aqueous host/guest complexes? A combined computational and spectroscopic perspective S Bhandari, Z Zheng, B Maiti, CH Chuang, M Porel, ZQ You, ... The Journal of Physical Chemistry C 121 (28), 15481-15488, 2017 | 19 | 2017 |
| On the role of the special pair in photosystems as a charge transfer rectifier H Aksu, A Schubert, S Bhandari, A Yamada, E Geva, BD Dunietz The Journal of Physical Chemistry B 124 (10), 1987-1994, 2020 | 17 | 2020 |
| Molecular-Level Exploration of the Structure-Function Relations Underlying Interfacial Charge Transfer in the Subphthalocyanine/ Organic Photovoltaic System J Tinnin, S Bhandari, P Zhang, H Aksu, B Maiti, E Geva, BD Dunietz, ... Physical Review Applied 13 (5), 054075, 2020 | 16 | 2020 |
| Intersystem crossing in tetrapyrrolic macrocycles. A first-principles analysis S Bhandari, S Sarkar, A Schubert, A Yamada, J Payne, M Ptaszek, ... The Journal of Physical Chemistry C 125 (24), 13493-13500, 2021 | 13 | 2021 |
| Mutually Orthogonal Bioconjugation of Vinyl Nucleosides for RNA Metabolic Labeling M Gupta, M Singha, DB Rasale, Z Zhou, S Bhandari, S Beasley, J Sakr, ... Organic Letters 23 (18), 7183-7187, 2021 | 11 | 2021 |
| Correlating Interfacial Charge Transfer Rates with Interfacial Molecular Structure in the Tetraphenyldibenzoperiflanthene/C70 Organic Photovoltaic System J Tinnin, S Bhandari, P Zhang, E Geva, BD Dunietz, X Sun, MS Cheung The Journal of Physical Chemistry Letters 13 (3), 763-769, 2022 | 4 | 2022 |
| Achieving Predictive Description of Negative Differential Resistance in Molecular Junctions Using a Range‐Separated Hybrid Functional S Bhandari, A Yamada, A Hoskins, J Payne, H Aksu, BD Dunietz Advanced Theory and Simulations 4 (1), 2000016, 2021 | 4 | 2021 |
| Visible light-activatable platinum (iv) prodrugs harnessing CD36 for ovarian cancer therapy AMDS Jayawardhana, S Bhandari, AW Kaspi-Kaneti, M Kshetri, Z Qiu, ... Dalton Transactions 52 (31), 10942-10950, 2023 | 2 | 2023 |
| Cyanide Bridged Platinum‐Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study AW Kaspi‐Kaneti, S Bhandari, A Schubert, SD Huang, BD Dunietz ChemPhysChem 22 (1), 106-111, 2021 | 2 | 2021 |
| A Computational Study of the Electronic Energy and Charge Transfer Rates and Pathways in the Tetraphenyldibenzoperiflanthene/Fullerene Interfacial Dyad A Schubert, S Bhandari, E Geva, BD Dunietz The Journal of Physical Chemistry Letters 14 (43), 9569-9583, 2023 | | 2023 |
| An Electronic Structure Approach to Understand Charge Transfer and Transport in Organic Semiconducting Materials S Bhandari Kent State University, 2020 | | 2020 |
| First Charge Transfer Measurements in Synthetic Symmetrical Bacteriochlorin Dyads C McCleese, B Maiti, S Bhandari, Z Yu, N Esemoto, BD Dunietz, C Burda, ... FEMTOSECOND TIME-RESOLVED SPECTROSCOPY STUDIES OF INTERFACIAL CHARGE …, 2017 | | 2017 |
| Efficient Charge Generation Via Hole Transfer Y Song, A Schubert, X Liu, S Bhandari, SR Forrest, BD Dunietz, E Geva, ... | | |
