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Suranjan Shil
Suranjan Shil
Assistant Professor
Bestätigte E-Mail-Adresse bei manipal.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
1132018
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, 57-67, 2010
492010
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
482015
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
452013
Photoinduced antiferromagnetic to ferromagnetic crossover in organic systems
S Shil, A Misra
The Journal of Physical Chemistry A 114 (4), 2022-2027, 2010
432010
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
362010
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
292016
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
272015
Increasing magnetic coupling through oxidation of a ferrocene bridge
S Shil, C Herrmann
Inorganic Chemistry 54 (24), 11733-11740, 2015
222015
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
202011
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
192018
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
192013
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
162013
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
152013
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
152012
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
132016
Borazine: spin blocker or not?
D Bhattacharya, S Shil, A Misra, L Bytautas, DJ Klein
Physical Chemistry Chemical Physics 17 (21), 14223-14237, 2015
132015
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
122019
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
122018
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
122015
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