| 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 | 118 | 2021 |
| Stability of nucleobases and base pairs adsorbed on graphyne and graphdiyne S Chandra Shekar, RS Swathi The Journal of Physical Chemistry C 118 (8), 4516-4528, 2014 | 64 | 2014 |
| Rattling motion of alkali metal ions through the cavities of model compounds of graphyne and graphdiyne S Chandra Shekar, RS Swathi The Journal of Physical Chemistry A 117 (36), 8632-8641, 2013 | 56 | 2013 |
| Molecular switching on graphyne and graphdiyne: realizing functional carbon networks in synergy with graphene SC Shekar, RS Swathi Carbon 126, 489-499, 2018 | 46 | 2018 |
| Graphynes: indispensable nanoporous architectures in carbon flatland A James, C John, C Owais, SN Myakala, SC Shekar, JR Choudhuri, ... RSC advances 8 (41), 22998-23018, 2018 | 41 | 2018 |
| Cation− π interactions and rattling motion through two-dimensional carbon networks: graphene vs graphynes SC Shekar, RS Swathi The Journal of Physical Chemistry C 119 (16), 8912-8923, 2015 | 37 | 2015 |
| 2D MoS2 nanopores: ionic current blockade height for clustering DNA events AD Carral, CS Sarap, K Liu, A Radenovic, M Fyta 2D Materials 6 (4), 045011, 2019 | 21 | 2019 |
| 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 | 20 | 2021 |
| Optical properties of single-and double-functionalized small diamondoids CS Sarap, B Adhikari, S Meng, F Uhlig, M Fyta The Journal of Physical Chemistry A 122 (14), 3583-3593, 2018 | 18 | 2018 |
| Electronic properties and optical spectra of donor–acceptor conjugated organic polymers CS Sarap, Y Singh, JM Lane, N Rai Scientific Reports 13 (1), 21587, 2023 | 16 | 2023 |
| Triazatruxene radical cation: a trigonal class III mixed valence system TG Thomas, SC Shekar, RS Swathi, KR Gopidas RSC Advances 7 (2), 821-825, 2017 | 15 | 2017 |
| Optoelectronic properties of diamondoid-DNA complexes CS Sarap, P Partovi-Azar, M Fyta ACS Applied Bio Materials 1 (1), 59-69, 2018 | 14 | 2018 |
| Enhancing the optical detection of mutants from healthy DNA with diamondoids CS Sarap, P Partovi-Azar, M Fyta Journal of Materials Chemistry B 7 (21), 3424-3430, 2019 | 7 | 2019 |
| Interlocked benzenes in triangular π-architectures: anchoring groups dictate ion binding and transmission SC Shekar, SK Meena, RS Swathi Physical Chemistry Chemical Physics 19 (16), 10264-10273, 2017 | 5 | 2017 |
| Diamondoid-functionalized nanogaps: from small molecules to electronic biosensing FC Maier, CS Sarap, M Dou, G Sivaraman, M Fyta The European Physical Journal Special Topics 227 (14), 1681-1692, 2019 | 3 | 2019 |
| Domain-size effect on the electronic properties of two-dimensional CS Sarap, MH Putra, M Fyta Physical Review B 101 (7), 075129, 2020 | 2 | 2020 |
| In silico Complexes of Amino Acids and Diamondoids P Partovi‐Azar, CS Sarap, M Fyta ChemPhysChem 20 (17), 2166-2170, 2019 | 2 | 2019 |
| Revealing the Intricate Optical Spectra of Organic Open-Shell Conjugated Polymers N Rai, C Sarap, Y Singh Bulletin of the American Physical Society 67, 2022 | | 2022 |
| 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 |