| A high-spin ground-state donor-acceptor conjugated polymer AE London, H Chen, MA Sabuj, J Tropp, M Saghayezhian, N Eedugurala, ... Science Advances 5 (5), eaav2336, 2019 | 82 | 2019 |
| Wide Potential Window Supercapacitors Using Open‐Shell Donor–Acceptor Conjugated Polymers with Stable N‐Doped States K Wang, L Huang, N Eedugurala, S Zhang, MA Sabuj, N Rai, X Gu, ... Advanced Energy Materials 9 (47), 1902806, 2019 | 65 | 2019 |
| Evolution of the electronic structure in open-shell donor-acceptor organic semiconductors Z Chen, W Li, MA Sabuj, Y Li, W Zhu, M Zeng, CS Sarap, MM Huda, ... Nature Communications 12 (1), 5889, 2021 | 57 | 2021 |
| Iodine binding with thiophene and furan based dyes for DSCs A Baumann, H Cheema, MA Sabuj, LE McNamara, Y Zhang, ... Physical Chemistry Chemical Physics 20 (26), 17859-17870, 2018 | 24 | 2018 |
| Probing interfacial halogen-bonding effects with halogenated organic dyes and a lewis base-decorated transition metal-based redox shuttle at a metal oxide interface in dye … C Curiac, LA Hunt, MA Sabuj, Q Li, A Baumann, H Cheema, Y Zhang, ... The Journal of Physical Chemistry C 125 (32), 17647-17659, 2021 | 16 | 2021 |
| Benzobisthiadiazole-based high-spin donor–acceptor conjugated polymers with localized spin distribution MA Sabuj, MM Huda, CS Sarap, N Rai Materials Advances 2 (9), 2943-2955, 2021 | 15 | 2021 |
| Open-shell donor–π–acceptor conjugated metal-free dyes for dye-sensitized solar cells MA Sabuj, N Rai Molecular Systems Design & Engineering 5 (9), 1477-1490, 2020 | 9 | 2020 |
| Donor-acceptor conjugated macrocycles with polyradical character and global aromaticity MA Sabuj, MM Huda, N Rai Iscience 23 (11), 2020 | 8 | 2020 |
| Understanding speciation and solvation of glyphosate from first principles simulations ZW Windom, M Datta, MM Huda, MA Sabuj, N Rai Journal of Molecular Liquids 365, 120154, 2022 | 4 | 2022 |
| Non-Aufbau orbital ordering and spin density modulation in high-spin donor–acceptor conjugated polymers MA Sabuj, O Muoh, MM Huda, N Rai Physical Chemistry Chemical Physics 24 (38), 23699-23711, 2022 | 4 | 2022 |
| Designing molecules with a high-spin (quintet, S= 2) ground state for magnetic and spintronic applications MA Sabuj, C Saha, MM Huda, N Rai Molecular Systems Design & Engineering 8 (7), 874-886, 2023 | 2 | 2023 |
| Organic Open-Shell Materials for Optoelectronic and Magnetic Applications MA Sabuj Mississippi State University, 2020 | 2 | 2020 |
| Designing Donor-Acceptor Conjugated Macrocycles with Polyradical Character and Global (Anti) Aromaticity MA Sabuj, MM Huda, N Rai Available at SSRN 3589834, 0 | 2 | |
| Predicting Viscosity of Complex Lubricant Molecules with Ester Functional Groups using Nonequilibrium Molecular Dynamics Simulations. MA Sabuj, N Rai APS March Meeting Abstracts 2017, F26. 011, 2017 | 1 | 2017 |
| Regulation of quantum spin conversions in a single molecular radical C Yang, Z Chen, C Yu, J Cao, G Ke, W Zhu, W Liang, J Huang, W Cai, ... Nature Nanotechnology, 1-8, 2024 | | 2024 |
| Elucidating the structure of donor–acceptor conjugated polymer aggregates in liquid solution C Saha, MM Huda, MA Sabuj, N Rai Soft Matter, 2024 | | 2024 |
| Designing High-Spin Small Organic Molecules for Optoelectronic Applications N Rai, MA Sabuj, C Saha, MM Huda APS March Meeting Abstracts 2023, Q33. 012, 2023 | | 2023 |
| Indacenodinaphthothiophene Isomers with Polyradical Character MA Sabuj, MM Huda, C Saha, N Rai 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Near-Infrared-Absorbing Open-Shell Donor-π-Acceptor Metal-Free Conjugated Dyes for Dye-Sensitized Solar Cells MA Sabuj, N Rai 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Pushing the Frontier of Organic Optoelectronics through Computational Design of Open-Shell Donor-Acceptor Macromolecules MA Sabuj, C Sarap, O Muoh, JD Teas, C Gruich, N Rai 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Neeraj RaiMississippi State UniversityVerified email at che.msstate.edu
