Google Scholar ID Dr. Suranjan Shil


    Assistant Professor, MCNS


Degree Specialisation Institute Year of passing
Ph.D Computational Chemistry University of North Bengal 2014
M.Sc. Physical Chemistry University of north Bengal 2008
B.Sc. Chemistry Dinhata College 2006


Institution / Organisation Designation Role Tenure
MCNS, MAHE Assistant Professor Teaching and Research February 2022
United Arab Emirates University Medical Research Specialist Research April 2021 - January 2022
MCNS, MAHE Assistant Professor Teaching and Research December 2019 - November 2020
Uinversity of Calcutta Dr. D.S. Kothari Postdoctoral Fellow Research April 2019 - November 2019
"CEA-Saclay, Paris" Postdoc Research 07 Months ( July 2018 - January 2019)
Technical Uinversity of Denmark Postdoc Research 2 year (2016 - 2018)
University of Hamburg Postdoc Research 2 Year( 2014 - 2016)


Area of Interest

Computational Chemistry

Area of Expertise

"Magnetic Molecules, Molecular Electronic Transport, Thermochemistry, Reaction Mechanism, Organic Solar Cell, Machine-Learning"

Area of Research

"Organic Diradicals, Charge-Transfer Complexes, Chiral Molecules and Complexes"

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


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


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


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


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


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

Project Associate

Tania Sarkar

M.Sc. projects and Ph.D. positions

M.Sc. projects and Ph.D. positions are available, for details contact Dr. Suranjan Shil , Email:

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