Publicacións en colaboración con investigadores/as de Scuola Normale Superiore di Pisa (9)

2023

  1. Bringing Machine-Learning Enhanced Quantum Chemistry and Microwave Spectroscopy to Conformational Landscape Exploration: the Paradigmatic Case of 4-Fluoro-Threonine

    Chemistry - A European Journal, Vol. 29, Núm. 24

2022

  1. Unbiased disentanglement of conformational baths with the help of microwave spectroscopy, quantum chemistry, and artificial intelligence: The puzzling case of homocysteine

    Journal of Chemical Physics, Vol. 157, Núm. 7

2021

  1. Exploring the maze of cycloserine conformers in the gas phase guided by microwave spectroscopy and quantum chemistry

    Journal of Physical Chemistry A, Vol. 125, Núm. 10, pp. 2121-2129

  2. Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy

    ChemPlusChem, Vol. 86, Núm. 10, pp. 1374-1386

2020

  1. Halogen bond and internal dynamics in the σ–complex of pyridine-chlorotrifluoromethane: A rotational study

    Journal of Molecular Spectroscopy, Vol. 371

2019

  1. Internal dynamics of cyclohexanol and the cyclohexanol-water adduct

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 7, pp. 3676-3682

2017

  1. Structure and dynamics of cyclic amides: The rotational spectrum of 1,3-dimethyl-2-imidazolidinone

    Journal of Molecular Spectroscopy, Vol. 342, pp. 38-44

2014

  1. Accurate characterization of the peptide linkage in the gas phase: A joint quantum-chemical and rotational spectroscopy study of the glycine dipeptide analogue

    Journal of Physical Chemistry Letters, Vol. 5, Núm. 3, pp. 534-540

2013

  1. Accurate molecular structure and spectroscopic properties of nucleobases: A combined computational-microwave investigation of 2-thiouracil as a case study

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 39, pp. 16965-16975