S. Shil

发表

Toward Molecular Magnets of Organic Origin via Anion-π Interaction Involving m-Aminyl Diradical: A Theoretical Study.

D. Klein, L. Bytautas, D. Bhattacharya, 2016, The journal of physical chemistry. A.

Borazine: spin blocker or not?

D. Klein, L. Bytautas, D. Bhattacharya, 2015, Physical chemistry chemical physics : PCCP.

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

D. Klein, D. Bhattacharya, Anirban Misra, 2010 .

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

Mikkel N. Schmidt, K. Jacobsen, K. Thygesen, 2018, The Journal of chemical physics.

A note on second-order nonlinear optical response of high-spin bis-TEMPO diradicals with possible application

D. Klein, D. Bhattacharya, Anirban Misra, 2014 .

Photomagnetic and nonlinear optical properties in cis‐trans green fluoroprotein chromophore coupled Bis‐imino nitroxide diradicals

D. Klein, L. Bytautas, D. Bhattacharya, 2015 .

A high-spin organic diradical as a spin filter.

D. Klein, D. Bhattacharya, Anirban Misra, 2015, Physical chemistry chemical physics : PCCP.

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.

D. Bhattacharya, Anirban Misra, S. Shil, 2013, The journal of physical chemistry. A.

Charge-Transfer-Induced Magnetism in Mixed-Stack Complexes

Anirban Misra, S. Shil, Satadal Paul, 2013 .

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

S. Sen, S. Shil, 2020, Inorganic chemistry.

Magnetic and transport properties of conjugated and cumulated molecules: the π-system enlightens part of the story.

Anirban Misra, S. Shil, Prodipta Sarbadhikary, 2018, Physical chemistry chemical physics : PCCP.

A Perspective on Designing Chiral Organic Magnetic Molecules with Unusual Behavior in Magnetic Exchange Coupling.

A. Panda, Anirban Misra, S. Shil, 2016, The Journal of organic chemistry.

Electric field induced tuning of molecular conformation to acquire spintronics property in biphenyl systems

Anirban Misra, S. Shil, 2013 .

Increasing Magnetic Coupling through Oxidation of a Ferrocene Bridge.

S. Shil, C. Herrmann, 2015, Inorganic chemistry.

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

S. Shil, A. Ghosh, P. Ghosh, 2016, Medicinal Chemistry Research.

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

S. Shil, 2018 .

Role of the coupler to design organic magnetic molecules: LUMO plays an important role in magnetic exchange

Anirban Misra, S. Shil, Moumita Roy, 2015 .

Performance of range‐separated hybrid exchange–correlation functionals for the calculation of magnetic exchange coupling constants of organic diradicals

Carmen Herrmann, Suranjan Shil, S. Shil, 2018, J. Comput. Chem..

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

S. Shil, S. Mohapatra, Sushobhan Ghosh, 2023, Crystal Research and Technology.

Photoinduced antiferromagnetic to ferromagnetic crossover in organic systems.

Anirban Misra, S. Shil, 2010, Journal of Physical Chemistry A.

Photoresponsive magnetization reversal in green fluorescent protein chromophore based diradicals

D. Bhattacharya, Anirban Misra, S. Shil, 2011 .

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

Anirban Misra, S. Shil, Prodipta Sarbadhikary, 2016 .

A theoretical study on magnetic properties of bis-TEMPO diradicals with possible application

D. Klein, D. Bhattacharya, Anirban Misra, 2013 .

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

D. Bhattacharya, Anirban Misra, S. Shil, 2012, Physical chemistry chemical physics : PCCP.

Isothermal Compressibilities of Carbon Tetrachloride, Methanol, and Isopropyl Alcohol.

P. K. Katti, S. Shil, 1966 .

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

S. Shil, A. Ghosh, P. Ghosh, 2016, Medicinal Chemistry Research.

Designing and Understanding Building Blocks for Molecular Spintronics

Bodo Alexander Voigt, S. Shil, C. Herrmann, 2018 .

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

K. Thygesen, S. Shil, M. Mesta, 2019, The journal of physical chemistry. A.

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

Mikkel N. Schmidt, K. Jacobsen, K. Thygesen, 2018, The Journal of chemical physics.

Evaluation of 1,10-phenanthroline-based hydroxamate derivative as dual histone deacetylases/ribonucleotide reductase inhibitor with antitumor activities

S. Shil, U. Nayak, Padmini Pai, 2024, Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences.

1,3,5‐Benzene Tricarboxylic Acid Based Cocrystals With Selective Semiconductivity via H‐coupled Charge Transfer

S. Shil, Sudip Sarkar, Gobinda Chandra De, 2024, ChemistrySelect.

Antiaromatic Molecules as Magnetic Couplers: A Computational Quest

L. Bytautas, D. Bhattacharya, Anirban Misra, 2024, The journal of physical chemistry. A.