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Proceedings of the National Academy of Sciences of the United States of America|March 23, 2022
Likelihood-based non-Markovian models from molecular dynamicsHadrien Vroylandt, Ludovic Goudenège, Pierre Monmarché, et al.Physical Review Letters|January 17, 2012
Large-scale simulations of a-Si:H: the origin of midgap states revisitedP A Khomyakov, Wanda Andreoni, N D Afify, et al.The Journal of Physical Chemistry. A|July 13, 2006
Broken inter-C60 bonds as the cause of magnetism in polymeric C60: a density functional study using C60 dimersJordi Ribas-Ariño, Alessandro Curioni, Wanda Andreoni, et al.Journal of Chemical Theory and Computation|March 16, 2018
Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical ModelMatthew P Kroonblawd, Fabio Pietrucci, Antonino Marco Saitta, et al.Journal of the American Chemical Society|January 27, 2012
Multidimensional view of amyloid fibril nucleation in atomistic detailFahimeh Baftizadeh, Xevi Biarnes, Fabio Pietrucci, et al.Journal of Agricultural and Food Chemistry|May 2, 2003
The elusiveness of coffee aroma: new insights from a non-empirical approachLindsey J Munro, Alessandro Curioni, Wanda Andreoni, et al.Chemical Science|April 29, 2017
One-step electric-field driven methane and formaldehyde synthesis from liquid methanolGiuseppe Cassone, Fabio Pietrucci, Franz Saija, et al.Nature Communications|December 24, 2017
Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleationMartin Fitzner, Gabriele C Sosso, Fabio Pietrucci, et al.Journal of Chemical Theory and Computation|June 17, 2017
van der Waals Contribution to the Relative Stability of Aqueous Zn(2+) Coordination StatesManoj Ducher, Fabio Pietrucci, Etienne Balan, et al.The Journal of Chemical Physics|August 3, 2019
On the link between polyamorphism and liquid-liquid transition: The case of salty waterLivia E Bove, Fabio Pietrucci, A Marco Saitta, et al.Pageof 8