All Stories

  1. First-principles design of heavy-atom-free singlet oxygen photosensitizers for photodynamic therapy

    Article • The Journal of Chemical Physics, April 2024, American Institute of Physics

    Ayan Datta

  2. Cobalt phthalocyanine (CoPc) monolayer: A computational study on oxygen reduction reaction (ORR)

    Article • January 2020, American Institute of Physics

    Ayan Datta

  3. Analysis of pseudo jahn–teller distortion based on natural bond orbital theory: Case study for silicene

    Article • Journal of Computational Chemistry, March 2019, Wiley

    Ayan Datta

  4. Mechanistic insights into the synergistic catalysis by Au(i), Ga(iii), and counterions in the Nakamura reaction

    Article • Organic & Biomolecular Chemistry, January 2015, Royal Society of Chemistry

    Ayan Datta

  5. Fluorescence from an H-aggregated naphthalenediimide based peptide: photophysical and computational investigation of this rare phenomenon

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

    Ayan Datta, Arindam Banerjee

  6. Raman Spectroscopy of Low Dimensional Systems

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Ayan Datta

  7. Solar Light Usage for applications

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Ayan Datta

  8. Reactivity of germanones: far removed from ketones – a computational study

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

    Ayan Datta

  9. Why Table Salt is a Solid?

    Article • AIP Advances, February 2012, American Institute of Physics

    Ayan Datta

  10. Silicene: Hydrogen Storage materials

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Ayan Datta