Sarap Chandra Shekar
Sarap Chandra Shekar
Dave C Swalm School of Chemical Engineering, Mississippi State University, USA
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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
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
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
Molecular switching on graphyne and graphdiyne: Realizing functional carbon networks in synergy with graphene
SC Shekar, RS Swathi
Carbon 126, 489-499, 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
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), 1-10, 2021
Optoelectronic properties of diamondoid-DNA complexes
CS Sarap, P Partovi-Azar, M Fyta
ACS Applied Bio Materials 1 (1), 59-69, 2018
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
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
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
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
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
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
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
Domain-size effect on the electronic properties of two-dimensional
CS Sarap, MH Putra, M Fyta
Physical Review B 101 (7), 075129, 2020
In silico Complexes of Amino Acids and Diamondoids
P Partovi‐Azar, CS Sarap, M Fyta
ChemPhysChem 20 (17), 2166-2170, 2019
Revealing the Intricate Optical Spectra of Organic Open-Shell Conjugated Polymers
N Rai, C Sarap, Y Singh
Bulletin of the American Physical Society, 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
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