All Stories

  1. Range-separated hybrid density functionals made simple

    Article • The Journal of Chemical Physics, May 2019, American Institute of Physics

    Juan-Carlos Sancho-Garcia, Carlo Adamo

  2. Photophysical properties of fluorescent imaging biological probes of nucleic acids: SAC-CI and TD-DFT Study

    Article • Journal of Computational Chemistry, August 2018, Wiley

    Carlo Adamo

  3. B,N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations

    Article • Journal of Computational Chemistry, December 2017, Wiley

    Carlo Adamo

  4. Dioxygenation of metal(II)-cysteinato complexes in CDO biomimetic models: Can ruthenium and osmium reach iron performances?

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

    Carlo Adamo

  5. Optoeletronic properties of poly(N -alkenyl-carbazole)s driven by polymer stereoregularity

    Article • Journal of Polymer Science Part A Polymer Chemistry, November 2017, Wiley

    Carlo Adamo

  6. Charge transfer excitations in TDDFT: A ghost-hunter index

    Article • Journal of Computational Chemistry, August 2017, Wiley

    Carlo Adamo

  7. Development of Simple QSPR Models for the Prediction of the Heat of Decomposition of Organic Peroxides

    Article • Molecular Informatics, April 2017, Wiley

    Carlo Adamo

  8. Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals

    Article • Journal of Computational Chemistry, April 2017, Wiley

    Carlo Adamo

  9. Modeling emission features of salicylidene aniline molecular crystals: A QM/QM’ approach

    Article • Journal of Computational Chemistry, January 2016, Wiley

    Carlo Adamo

  10. Copper–amyloid-β complex may catalyze peroxynitrite production in brain: evidence from molecular modeling

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Carlo Adamo

  11. Dye chemistry with time-dependent density functional theory

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Carlo Adamo

  12. From iridoids to dyes: a theoretical study on genipin reactivity

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Carlo Adamo

  13. Intermolecular proton shuttling in excited state proton transfer reactions: insights from theory

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Nadia Rega, Carlo Adamo