Suranjan Shil
Suranjan Shil
Postdoc, CEA-Saclay
Bekræftet mail på cea.fr - Startside
TitelCiteret afÅr
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 (1-2), 57-67, 2010
392010
Photoinduced antiferromagnetic to ferromagnetic crossover in organic systems
S Shil, A Misra
The Journal of Physical Chemistry A 114 (4), 2022-2027, 2009
342009
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
282010
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
252013
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), 241735, 2018
152018
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
152015
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
142013
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
142011
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
132013
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
132012
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
122016
Increasing magnetic coupling through oxidation of a ferrocene bridge
S Shil, C Herrmann
Inorganic chemistry 54 (24), 11733-11740, 2015
122015
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
122015
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
102013
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
82016
Borazine: spin blocker or not?
D Bhattacharya, S Shil, A Misra, L Bytautas, DJ Klein
Physical Chemistry Chemical Physics 17 (21), 14223-14237, 2015
82015
A note on second-order nonlinear optical response of high-spin bis-TEMPO diradicals with possible application
D Bhattacharya, S Shil, T Goswami, A Misra, DJ Klein
Computational and Theoretical Chemistry 1039, 11-14, 2014
82014
On protonation and methylation of benzene: A B3LYP DFT based study
S Sarkar, S Shil, S Paul, A Misra
Journal of Molecular Structure: THEOCHEM 916 (1-3), 154-158, 2009
52009
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
42015
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
32018
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Artikler 1–20