Highly Luminescent and Semiconducting Supramolecular Organic Charge Transfer Complex Generated via H-Bonding Interaction Pathway

15/01/2023 Sushobhan Ghosh, Sudip Sarkar, Satadal Paul, Suranjan Shil, Sudip Mohapatra, Achintesh Narayan Biswas, Gobinda Chandra De

DOI: 10.1002/crat.202200228

Crystal Research and Technology. Page:2200228

Metallocene Coupled Cumulene: A Quest for Chiral Single Molecule Magnet

2023 Soumik Das Anirban Misra Suranjan Shil

DOI: 10.1039/D3CP00194F

Physical Chemistry Chemical Physics.

Cobaltocene-Coupled Cumulene: A Perspective on Chiral Magnet and Spintronics Device Design

09/11/2020 Suranjan Shil Sabyasachi Sen

DOI: 10.1021/acs.inorgchem.0c01825

Inorganic Chemistry. Page:16905-16912; Vol:59(23)

A Protocol for Fast Prediction of Electronic and Optical Properties of Donor-Acceptor Polymers Using Density Functional Theory and Tight-Binding Method

22-05-2019 M. Mesta J. H. Chang S. Shil K. S. Thygesen J. M. García-Lastra

DOI:10.1021/acs.jpca.9b02391

J Phys. Chem. A. Vol:123; Page:4980-4989

Designing and Understanding Building Blocks for Molecular Spintronics:

03-11-2018 C. Herrmann L. Groß Bodo Alexander Voigt Suranjan Shil Torben Steenbock

DOI: 10.1007/978-3-319-99558-8

Atomic-and Nanoscale Magnetism

Machine learning-based screening of complex molecules for polymer solar cells

05-05-2018 P. B. Jørgensen M. Mesta S. Shil J. M. G. Lastra K. W. Jacobsen K. S. Thygesen M. N. Schmidt

DOI:10.1063/1.5023563

J. Chem. Phys. 148, 241735(1-3

Magnetic and Transport Properties of Conjugated and Cumulated Molecules: the π-System Enlightens Part of the Story

06/03/2018 P. Sarbadhikary S. Shil A. Misra

DOI:10.1039/C7CP06113G

Phys. Chem. Chem. Phys. 20, 9364-9375

Effect of deprotonation on the magnetic exchange coupling constant of fluorene-based verdazyl diradical: A computational study

14/11/2017 S. Shil

DOI: 10.1002/qua.25543

J. Quantum. Chem. 118, e25543(1-8)

Performance of range-separated hybrid Exchange-Correlation functionals for the calculation of magnetic exchange coupling constants of organic diradicals

26-12-2017 S. Shil C. Herrmann

DOI: 10.1002/jcc.25153

J. Comput. Chem. Vol:39; Page: 780-787

Towards molecular magnets of organic origin via anion-π interaction involving m-aminyl diradical

20-10-2016 D.Bhattacharya S.Shil A.Misra L.Bytautas D.J.Klein

DOI: 10.1021/acs.jpca.6b09666.

A theoretical study J. Phys. Chem. A. Vol:120, Page:9117-9130

Effect of length on the transport and magnetic properties of diradical substituted molecular wires

11-10-2016 S. Shil P. Sarbadhikary A. Misra

DOI: 10.1039/C6RA23147K

RSC Adv. Vol:6; Page: 99467-99474

A perspective of designing chiral organic magnetic molecules with an unusual behavior in magnetic exchange coupling

10-06-2016 P.Sarbadhikary S.Shi A.Panda A.Misra

DOI: 10.1021/acs.joc.6b00943

J. Org. Chem. Vol:81; Page:5623–5630

3-Epihydroxy lup-20 (29)-en-19 (28)-olide: partial synthesis, antitopoisomerase activity, and 3D molecular docking

14-03-2016 A. Mandal A. Ghosh S. Ghosh S. Shil A. K. Bothra P. Ghosh

DOI: 10.1007/s00044-016-1551-9

Med. Chem. Res. Vol:25, Page:1087-1095

Increasing magnetic coupling through oxidation of a ferrocene bridge

03-12-2015 S.Shil C.Herrmann

DOI: 10.1021/acs.inorgchem.5b01707

Inorg. Chem. Vol:54, Page:11733-11740

Role of Coupler to Design Organic Magnetic Molecules: LUMO Plays an Important Role in Magnetic Exchange

30-11-2015 S. Shil M. Roy A. Misra

DOI: 10.1039/C5RA16670E

RSC Adv. Vol:5, Page:105574-105582

A high-spin organic diradical as a spin filter

10-08-2015 Suranjan Shil Debojit Bhattacharya Anirban Misra Douglas J. Klein

DOI: 10.1039/C5CP03193A

Phys. Chem. Chem. Phys. Vol:17; Page:23378-23383

Photomagnetic and nonlinear optical properties in cis-trans greefluoroprotein chromophore coupled Bis-imino nitroxide diradicals

22-07-2015 Debojit Bhattacharya Suranjan Shil Anirban Misra Laimutis Bytautas Douglas J. Klein

DOI: 10.1002/qua.24981

Int. J. Quantum Chem. Vol:115, Page:1561–1572

Borazine: spin blocker or not?

30-04-2015 Debojit Bhattacharya Suranjan Shil Anirban Misra Laimutis Bytautas Douglas J. Klein

DOI: 10.1039/C5CP00801H

Phys. Chem. Chem. Phys. Vol:17, Page:14223-14237

A Note on Second-Order Nonlinear Optical Response of High-Spin Bis-TEMPO Diradicals with Possible Application

01-07-2014 DebojitBhattacharya S.Shil T.Goswami A.Misra D.J.Klein

DOI: 10.1016/j.comptc.2014.03.038

Computational and Theoretical Chemistry. Vol:1039; Page:11-14

DFT Based Study on the Mechanism of an Unexpected Reaction of Aldehydes with 1,3-Dicarbonyls

2014 S. Sarkar S.Shil A.Misra

Journal of the Indian Chemical Society . Vol:91; Page:1289-1297

A Theoretical Study on Magnetic Properties of Bis-TEMPO Diradicals with Possible Application

02/11/2013 D. Bhattacharya S.Shil T.Goswami A.Misra A.Panda D.J.Klein

DOI: 10.1016/j.comptc.2013.09.013

Computational and Theoretical Chemistry. Vol:1024; Page:15–23

Electric Field Induced Tuning of Molecular Conformation to Acquire Spintronics Property in Biphenyl Systems

29/05/2013 S.Shil A.Misra

DOI: 10.1039/C3RA41706A

RSC Adv. Vol:3; page:14352-14363

Performance of the Widely Used Minnesota Density Functionals for the Prediction of Heat of Formations, Ionization Potentials of Some Benchmarked First Row Transition Metal Complexes

23/05/2013 S.Shil D.Bhattacharya S.Sarkar A.Misra

DOI: 10.1021/jp400397r

J. Phys. Chem. A. Vol:117; Page:4945-4955

Charge Transfer Induced Magnetism in Mixed-stack Complexes

10/01/2013 S.Shil S.Paul A.Misra

DOI: 10.1021/jp310333q

J. Phys. Chem. C 117, Page:2016-2023

A theoretical study on photomagnetic fluorescent protein chromophore coupled diradicals and their possible applications

09/03/2012 D.Bhattacharya A.Panda S.Shil T.Goswami A.Misra

DOI: 10.1039/C2CP00053A

Phys. Chem. Chem. Phys. Vol:14; Page:6905-6913

Photoresponsive Magnetization Reversal in Green Fluorescent Protein Chromophore Based Diradicals

25/01/2011 DebojitBhattacharya SuranjanShil AnirbanMisra

DOI: 10.1016/j.jphotochem.2010.11.013

Journal of Photochemistry and Photobiology A: Chemistry. Volume 217; Pages 402-410

A DFT study on the magneto-structural property of ferromagnetic heteroverdazyl diradicals with phenylene coupler

05/10/2010 Debojit Bhattacharya, Suranjan Shil, Anirban Panda, Anirban Misra

DOI: 10.1021/jp1072507

J. Phys. Chem. A. Vol:114; Page:11833-11841

Photoinduced Antiferromagnetic to Ferromagnetic Crossover in Organic Systems

31/12/2009 S.S A.Misra

DOI:10.1021/jp910661g

J. Phys. Chem. A. Vol:114; Page: 2022-2027

Intramolecular ferromagnetic coupling in bis-oxoverdazyl and bis-thioxoverdazyl diradicals with polyacene spacers

04/12/2009 D.Bhattacharya S.Shil A D.J.Klein

DOI:10.1007/s00214-009-0705-y

Theoretical Chemistry Accounts . Vol:127; Pages57–67(2010)

On protonationa and methylation of benzene: a B3LYP DFT based study

02/12/2009 S.Sarkar S.Shil S.Paul A.Misra

DOI: 10.1016/j.theochem.2009.09.026

Journal of Molecular Structure (THEOCHEM ). Vol:916; Page:154-158

Our paper “Metallocene Coupled Cumulene: A Quest for Chiral Single Molecule Magnet” accepted in Physical Chemistry Chemical Physics