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Journal of Chemical Theory and Computation|June 17, 2026
Taking Care of Complexity: A Pragmatic View on Computational Modeling in Catalysis and Materials ScienceGiacomo Melani, Bernardino Tirri, Giovanni Maria PicciniThe Journal of Organic Chemistry|April 6, 2021
Beyond Chemical Accuracy for Alkane Thermochemistry: The DHthermo ApproachHanwei Li, Bernardino Tirri, Eric Brémond, et al.Journal of Computational Chemistry|April 2, 2021
A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates: Merocyanine dyes as a case studyBernardino Tirri, Gloria Mazzone, Alistar Ottochian, et al.The Journal of Physical Chemistry. A|July 27, 2024
Evaluating Noncovalent Interactions in Halogenated Molecules with Double-Hybrid Functionals and a Dedicated Small Basis SetHanwei Li, Lorenzo Briccolani-Bandini, Bernardino Tirri, et al.The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|August 5, 2026
Adsorption and Reactivity of Na+ Salt and Room-Temperature Ionic Liquid at Na Metal SurfaceRanjini Sarkar, Francesca Fasulo, Ana Belén Muñoz-García, et al.Pageof 1