Química Física y Química Inorgánica
Saila
Scuola Normale Superiore di Pisa
Pisa, ItaliaScuola Normale Superiore di Pisa-ko ikertzaileekin lankidetzan egindako argitalpenak (9)
2023
-
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
-
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
-
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
-
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
-
Halogen bond and internal dynamics in the σ–complex of pyridine-chlorotrifluoromethane: A rotational study
Journal of Molecular Spectroscopy, Vol. 371
2019
-
Internal dynamics of cyclohexanol and the cyclohexanol-water adduct
Physical Chemistry Chemical Physics, Vol. 21, Núm. 7, pp. 3676-3682
2017
-
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
-
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
-
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