| Machine learning-based screening of complex molecules for polymer solar cells PB Jørgensen, M Mesta, S Shil, JM García Lastra, KW Jacobsen, ... The Journal of chemical physics 148 (24), 2018 | 128 | 2018 |
| A high-spin organic diradical as a spin filter S Shil, D Bhattacharya, A Misra, DJ Klein Physical Chemistry Chemical Physics 17 (36), 23378-23383, 2015 | 58 | 2015 |
| Intramolecular ferromagnetic coupling in bis-oxoverdazyl and bis-thioxoverdazyl diradicals with polyacene spacers D Bhattacharya, S Shil, A Misra, DJ Klein Theoretical Chemistry Accounts 127 (1), 57-67, 2010 | 52 | 2010 |
| Photoinduced antiferromagnetic to ferromagnetic crossover in organic systems S Shil, A Misra The Journal of Physical Chemistry A 114 (4), 2022-2027, 2010 | 47 | 2010 |
| Performance of the widely used Minnesota density functionals for the prediction of heat of formations, ionization potentials of some benchmarked first row transition metal … S Shil, D Bhattacharya, S Sarkar, A Misra The Journal of Physical Chemistry A 117 (23), 4945-4955, 2013 | 45 | 2013 |
| A DFT study on the magnetostructural property of ferromagnetic heteroverdazyl diradicals with phenylene coupler D Bhattacharya, S Shil, A Panda, A Misra The Journal of Physical Chemistry A 114 (43), 11833-11841, 2010 | 41 | 2010 |
| A perspective on designing chiral organic magnetic molecules with unusual behavior in magnetic exchange coupling P Sarbadhikary, S Shil, A Panda, A Misra The Journal of Organic Chemistry 81 (13), 5623-5630, 2016 | 34 | 2016 |
| Role of the coupler to design organic magnetic molecules: LUMO plays an important role in magnetic exchange S Shil, M Roy, A Misra RSC Advances 5 (128), 105574-105582, 2015 | 30 | 2015 |
| Increasing magnetic coupling through oxidation of a ferrocene bridge S Shil, C Herrmann Inorganic Chemistry 54 (24), 11733-11740, 2015 | 24 | 2015 |
| Photoresponsive magnetization reversal in green fluorescent protein chromophore based diradicals D Bhattacharya, S Shil, A Misra Journal of Photochemistry and Photobiology A: Chemistry 217 (2-3), 402-410, 2011 | 23 | 2011 |
| Performance of range‐separated hybrid exchange–correlation functionals for the calculation of magnetic exchange coupling constants of organic diradicals S Shil, C Herrmann Journal of Computational Chemistry 39 (13), 780-787, 2018 | 21 | 2018 |
| A theoretical study on magnetic properties of bis-TEMPO diradicals with possible application D Bhattacharya, S Shil, T Goswami, A Misra, A Panda, DJ Klein Computational and Theoretical Chemistry 1024, 15-23, 2013 | 20 | 2013 |
| Electric field induced tuning of molecular conformation to acquire spintronics property in biphenyl systems S Shil, A Misra RSC Advances 3 (34), 14352-14362, 2013 | 17 | 2013 |
| Charge-transfer-induced magnetism in mixed-stack complexes S Shil, S Paul, A Misra The Journal of Physical Chemistry C 117 (5), 2016-2023, 2013 | 16 | 2013 |
| Magnetic and transport properties of conjugated and cumulated molecules: the π-system enlightens part of the story P Sarbadhikary, S Shil, A Misra Physical Chemistry Chemical Physics 20 (14), 9364-9375, 2018 | 15 | 2018 |
| Borazine: spin blocker or not? D Bhattacharya, S Shil, A Misra, L Bytautas, DJ Klein Physical Chemistry Chemical Physics 17 (21), 14223-14237, 2015 | 15 | 2015 |
| A theoretical study on photomagnetic fluorescent protein chromophore coupled diradicals and their possible applications D Bhattacharya, A Panda, S Shil, T Goswami, A Misra Physical Chemistry Chemical Physics 14 (19), 6905-6913, 2012 | 15 | 2012 |
| A protocol for fast prediction of electronic and optical properties of donor–acceptor polymers using density functional theory and the tight-binding method M Mesta, JH Chang, S Shil, KS Thygesen, JMG Lastra The Journal of Physical Chemistry A 123 (23), 4980-4989, 2019 | 14 | 2019 |
| Toward Molecular Magnets of Organic Origin via Anion−π Interaction Involving m-Aminyl Diradical: A Theoretical Study D Bhattacharya, S Shil, A Misra, L Bytautas, DJ Klein The Journal of Physical Chemistry A 120 (45), 9117-9130, 2016 | 14 | 2016 |
| Photomagnetic and nonlinear optical properties in cis‐trans green fluoroprotein chromophore coupled Bis‐imino nitroxide diradicals D Bhattacharya, S Shil, A Misra, L Bytautas, DJ Klein International Journal of Quantum Chemistry 115 (21), 1561-1572, 2015 | 13 | 2015 |
Douglas KleinProfessor at TAMU@GalvestonEmail được xác minh tại tamug.edu