Sfoglia per Autore
A Journey from Thermally Tunable Synthesis to Spectroscopy of Phenylmethanimine in Gas Phase and Solution
2020 Melli, Alessio; Potenti, Simone; Melosso, Mattia; Herbers, Sven; Spada, Lorenzo; Gualandi, Andrea; Lengsfeld, Kevin G.; Dore, Luca; Buschmann, Philipp; Cozzi, Pier Giorgio; Grabow, Jens-Uwe; Barone, Vincenzo; Puzzarini, Cristina
Integration of theory, simulation, artificial intelligence and virtual reality: A four-pillar approach for reconciling accuracy and interpretability in computational spectroscopy
2021 Barone, V.; Puzzarini, C.; Mancini, G.
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution
2021 Potenti, S.; Spada, L.; Fuse', M.; Mancini, G.; Gualandi, A.; Leonardi, C.; Cozzi, P. G.; Puzzarini, C.; Barone, V.
Exploring the maze of cycloserine conformers in the gas phase guided by microwave spectroscopy and quantum chemistry
2021 Alonso, E. R.; Fuse', M.; Leon, I.; Puzzarini, C.; Alonso, J. L.; Barone, V.
Formation of Phosphorus Monoxide (PO) in the Interstellar Medium: Insights from Quantum-chemical and Kinetic Calculations
2021 García de la Concepción, Juan; Puzzarini, Cristina; Barone, Vincenzo; Jiménez-Serra, Izaskun; Roncero, Octavio
An improved study of HCO+ and He system: Interaction potential, collisional relaxation, and pressure broadening
2021 Tonolo, Francesca; Bizzocchi, Luca; Melosso, Mattia; Lique, F.; Dore, L.; Barone, Vincenzo; Puzzarini, Cristina
Unveiling Bifunctional Hydrogen Bonding with the Help of Quantum Chemistry: The Imidazole-Water Adduct as Test Case
2021 Melli, Alessio; Barone, Vincenzo; Puzzarini, Cristina
Extending the Applicability of the Semi-experimental Approach by Means of "template Molecule" and "linear Regression" Models on Top of DFT Computations
2021 Melli, A.; Tonolo, F.; Barone, V.; Puzzarini, C.
Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy
2021 Leon, I.; Tasinato, N.; Spada, L.; Alonso, E. R.; Mata, S.; Balbi, A.; Puzzarini, C.; Alonso, J. L.; Barone, V.
In search of phosphorus in astronomical environments : the reaction between the CP radical and methanimine
2021 Alessandrini, Silvia; Tonolo, Francesca; Puzzarini, Cristina
Precursors of the RNA World in Space: Detection of (Z)-1,2-ethenediol in the Interstellar Medium, a Key Intermediate in Sugar Formation
2022 Rivilla, V. M.; Colzi, L.; Jimenez-Serra, I.; Martin-Pintado, J.; Megias, A.; Melosso, M.; Bizzocchi, L.; Lopez-Gallifa, A.; Martinez-Henares, A.; Massalkhi, S.; Tercero, B.; De Vicente, P.; Guillemin, J. -C.; Garcia De La Concepcion, J.; Rico-Villas, F.; Zeng, S.; Martin, S.; Requena-Torres, M. A.; Tonolo, F.; Alessandrini, S.; Dore, L.; Barone, V.; Puzzarini, C.
Intersystem crossing in the entrance channel of the reaction of O(3P) with pyridine
2022 Recio, Pedro; Alessandrini, Silvia; Vanuzzo, Gianmarco; Pannacci, Giacomo; Baggioli, Alberto; Marchione, Demian; Caracciolo, Adriana; Murray, Vanessa J; Casavecchia, Piergiorgio; Balucani, Nadia; Cavallotti, Carlo; Puzzarini, Cristina; Barone, Vincenzo
Rotational Spectra of Unsaturated Carbon Chains Produced by Pyrolysis: The Case of Propadienone, Cyanovinylacetylene, and Allenylacetylene
2022 Melli, Alessio; Melosso, Mattia; Bizzocchi, Luca; Alessandrini, Silvia; Jiang, Ningjing; Tonolo, Francesca; Boi, Salvatore; Castellan, Giorgia; Sapienza, Carlotta; Guillemin, Jean-Claude; Dore, Luca; Puzzarini, Cristina
Hyperfine resolved rate coefficients of HC17O+ with H2 (j = 0)
2022 Tonolo, Francesca; Lique, F.; Melosso, Mattia; Puzzarini, Cristina; Bizzocchi, Luca
Spectroscopic Characterization of 3-Aminoisoxazole, a Prebiotic Precursor of Ribonucleotides
2022 Melli, Alessio; Melosso, Mattia; Lengsfeld, K. G.; Bizzocchi, Luca; Rivilla, V. M.; Dore, L.; Barone, Vincenzo; Grabow, J. -U.; Puzzarini, Cristina
Gas-phase identification of (Z)-1,2-ethenediol, a key prebiotic intermediate in the formose reaction
2022 Melosso, M.; Bizzocchi, L.; Gazzeh, H.; Tonolo, F.; Guillemin, J. -C.; Alessandrini, S.; Rivilla, V. M.; Dore, L.; Barone, V.; Puzzarini, C.
Unbiased disentanglement of conformational baths with the help of microwave spectroscopy, quantum chemistry and artificial intelligence: the puzzling case of homocysteine
2022 León, Iker; Fusè, Marco; Alonso, Elena R.; Mata, Santiago; Mancini, Giordano; Puzzarini, Cristina; Alonso, Jose L.; Barone, Vincenzo
Collisional excitation of PO+ by para-H2: potential energy surface, scattering calculations, and astrophysical applications
2024 Tonolo, F.; Bizzocchi, L.; Rivilla, V. M.; Lique, F.; Melosso, M.; Puzzarini, C.
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