All Stories

  1. Performance of range-separated hybrid exchange-correlation functionals for the calculation of magnetic exchange coupling constants of organic diradicals

    Article • Journal of Computational Chemistry, December 2017, Wiley

    Suranjan Shil

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

    Article • International Journal of Quantum Chemistry, November 2017, Wiley

    Suranjan Shil

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

    Article • The Journal of Organic Chemistry, June 2016, American Chemical Society (ACS)

    Suranjan Shil

  4. 3-Epihydroxy lup-20(29)-en-19(28)-olide: partial synthesis, antitopoisomerase activity, and 3D molecular docking

    Article • Medicinal Chemistry Research, March 2016, Springer Science + Business Media

    Suranjan Shil

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

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Suranjan Shil

  6. Increasing Magnetic Coupling through Oxidation of a Ferrocene Bridge

    Article • Inorganic Chemistry, December 2015, American Chemical Society (ACS)

    Suranjan Shil

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

    Article • International Journal of Quantum Chemistry, July 2015, Wiley

    Suranjan Shil

  8. Borazine: spin blocker or not?

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Suranjan Shil

  9. A high-spin organic diradical as a spin filter

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Suranjan Shil

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

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Suranjan Shil

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

    Article • Computational and Theoretical Chemistry, July 2014, Elsevier

    Suranjan Shil

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

    Article • Computational and Theoretical Chemistry, November 2013, Elsevier

    Suranjan Shil

  13. 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

    Article • The Journal of Physical Chemistry A, June 2013, American Chemical Society (ACS)

    Suranjan Shil

  14. Charge-Transfer-Induced Magnetism in Mixed-Stack Complexes

    Article • The Journal of Physical Chemistry C, January 2013, American Chemical Society (ACS)

    Suranjan Shil

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

    Article • RSC Advances, January 2013, Royal Society of Chemistry

    Suranjan Shil

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

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Suranjan Shil

  17. Photoresponsive magnetization reversal in green fluorescent protein chromophore based diradicals

    Article • Journal of Photochemistry and Photobiology A Chemistry, January 2011, Elsevier

    Suranjan Shil

  18. A DFT Study on the Magnetostructural Property of Ferromagnetic Heteroverdazyl Diradicals with Phenylene Coupler

    Article • The Journal of Physical Chemistry A, November 2010, American Chemical Society (ACS)

    Suranjan Shil

  19. Photoinduced Antiferromagnetic to Ferromagnetic Crossover in Organic Systems

    Article • The Journal of Physical Chemistry A, February 2010, American Chemical Society (ACS)

    Suranjan Shil

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

    Article • Theoretical Chemistry Accounts, December 2009, Springer Science + Business Media

    Suranjan Shil

  21. On protonation and methylation of benzene: A B3LYP DFT based study

    Article • Journal of Molecular Structure THEOCHEM, December 2009, Elsevier

    Suranjan Shil