Publications

Rousaki A.; Paolin E.; Sciutto G.; Vandenabeele P., Development and evaluation of a simple Raman spectral searching algorithm, «THE EUROPEAN PHYSICAL JOURNAL PLUS», 2021, 136, pp. 1 - 15 [Scientific article]

Alastra G.; Aloe Luigi; Baldassarro V.A.; Calzà Laura; Cescatti M.; Duskey J.T.; Focarete M.L.; Giacomini D.; Giardino L.; Giraldi V.; Lorenzini L.; Moretti M.; Parmeggiani Irene; Sannia M.; Tosi G., Nerve Growth Factor Biodelivery: A Limiting Step in Moving Toward Extensive Clinical Application?, «FRONTIERS IN NEUROSCIENCE», 2021, 15, pp. 1 - 17 [Scientific article] Open Access

Passaretti, A.; Cuvillier, L.; Sciutto, G.; Guilminot, E.; Joseph, E., Biologically derived gels for the cleaning of historical and artistic metal heritage, «APPLIED SCIENCES», 2021, 11, pp. 1 - 17 [Scientific article] Open Access

Alessandrini S.; Tonolo F.; Puzzarini C., In search of phosphorus in astronomical environments: The reaction between the CP radical (X 2ς +) and methanimine, «THE JOURNAL OF CHEMICAL PHYSICS», 2021, 154, pp. 1 - 8 [Scientific article] Open Access

Al-Derzi A.R.; Tennyson J.; Yurchenko S.N.; Melosso M.; Jiang N.; Puzzarini C.; Dore L.; Furtenbacher T.; Tobias R.; Csaszar A.G., An improved rovibrational linelist of formaldehyde, H212C16O, «JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER», 2021, 266, pp. 107563-1 - 107563-12 [Scientific article] Open Access

Melosso M.; Bizzocchi L.; Dore L.; Kisiel Z.; Jiang N.; Spezzano S.; Caselli P.; Gauss J.; Puzzarini C., Improved centrifugal and hyperfine analysis of ND2H and NH2D and its application to the spectral line survey of L1544, «JOURNAL OF MOLECULAR SPECTROSCOPY», 2021, 377, pp. 111431-1 - 111431-8 [Scientific article] Open Access

d'Ischia M.; Manini P.; Martins Z.; Remusat L.; O'D. Alexander C.M.; Puzzarini C.; Barone V.; Saladino R., Insoluble organic matter in chondrites: Archetypal melanin-like PAH-based multifunctionality at the origin of life?, «PHYSICS OF LIFE REVIEWS», 2021, 37, pp. 65 - 93 [Scientific article] Open Access

Alonso, E. R.; Fuse, M.; Leon, I.; Puzzarini, C.; Alonso, J. L.; Barone, V., Exploring the maze of cycloserine conformers in the gas phase guided by microwave spectroscopy and quantum chemistry, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2021, 125, pp. 2121 - 2129 [Scientific article] Open Access

Melli, A.; Barone, V.; Puzzarini, C., Unveiling Bifunctional Hydrogen Bonding with the Help of Quantum Chemistry: The Imidazole-Water Adduct as Test Case, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2021, 125, pp. 2989 - 2998 [Scientific article] Open Access

Barone, Vincenzo; Alessandrini, Silvia; Biczysko, Malgorzata; Cheeseman, James R.; Clary, David C.; McCoy, Anne B.; DiRisio, Ryan J.; Neese, Frank; Melosso, Mattia; Puzzarini, Cristina, Computational molecular spectroscopy, «NATURE REVIEWS METHODS PRIMERS», 2021, 1, pp. 1 - 27 [Scientific article] Open Access

Barone V.; Puzzarini C.; Mancini G., Integration of theory, simulation, artificial intelligence and virtual reality: A four-pillar approach for reconciling accuracy and interpretability in computational spectroscopy, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2021, 23, pp. 17079 - 17096 [Scientific article] Open Access

Alessandrini, S.; Melosso, M.; Jiang, N.; Bizzocchi, L.; Dore, L.; Puzzarini, C., Conformational stability of cyclopropanecarboxaldehyde is ruled by vibrational effects, «MOLECULAR PHYSICS», 2021, 119, pp. 1 - 13 [Scientific article] Open Access

Melosso M.; Diouf M.L.; Bizzocchi L.; Harding M.E.; Cozijn F.M.J.; Puzzarini C.; Ubachs W., Hyperfine-Resolved Near-Infrared Spectra of H217O, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2021, 125, pp. 7884 - 7890 [Scientific article] Open Access

Lupi J.; Alessandrini S.; Puzzarini C.; Barone V., JunChS and junChS-F12 Models: Parameter-free Efficient yet Accurate Composite Schemes for Energies and Structures of Noncovalent Complexes, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2021, 17, pp. 6974 - 6992 [Scientific article] Open Access

Garcia De La Concepcion J.; Puzzarini C.; Barone V.; Jimenez-Serra I.; Roncero O., Formation of Phosphorus Monoxide (PO) in the Interstellar Medium: Insights from Quantum-chemical and Kinetic Calculations, «THE ASTROPHYSICAL JOURNAL», 2021, 922, pp. 1 - 2 [Scientific article] Open Access

Sheng, M.; Silvestrini, F.; Biczysko, M.; Puzzarini, C., Structural and Vibrational Properties of Amino Acids from Composite Schemes and Double-Hybrid DFT: Hydrogen Bonding in Serine as a Test Case, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2021, 125, pp. 9099 - 9114 [Scientific article] Open Access

Melli A.; Tonolo F.; Barone V.; Puzzarini C., Extending the Applicability of the Semi-experimental Approach by Means of "template Molecule" and "linear Regression" Models on Top of DFT Computations, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2021, 125, pp. 9904 - 9916 [Scientific article] Open Access

Tonolo F.; Bizzocchi L.; Melosso M.; Lique F.; Dore L.; Barone V.; Puzzarini C., An improved study of HCO+ and He system: Interaction potential, collisional relaxation, and pressure broadening, «THE JOURNAL OF CHEMICAL PHYSICS», 2021, 155, pp. 1 - 9 [Scientific article] Open Access

Talamo, Sahra; Nowaczewska, Wioletta; Picin, Andrea; Vazzana, Antonino; Binkowski, Marcin; Bosch, Marjolein D.; Cercatillo, Silvia; Diakowski, Marcin; Fewlass, Helen; Marciszak, Adrian; Paleček, Dragana; Richards, Michael P.; Ryder, Christina M.; Sinet-Mathiot, Virginie; Smith, Geoff M.; Socha, Paweł; Sponheimer, Matt; Stefaniak, Krzysztof; Welker, Frido; Winter, Hanna; Wiśniewski, Andrzej; Żarski, Marcin; Benazzi, Stefano; Nadachowski, Adam; Hublin, Jean-Jacques, A 41,500 year-old decorated ivory pendant from Stajnia Cave (Poland), «SCIENTIFIC REPORTS», 2021, 11, pp. 1 - 11 [Scientific article] Open Access

Forleo T.; Zappi A.; Melucci D.; Ciriaci M.; Griffoni F.; Bacchiocchi S.; Siracusa M.; Tavoloni T.; Piersanti A., Inorganic elements in mytilus galloprovincialis shells: Geographic traceability by multivariate analysis of icp-ms data, «MOLECULES», 2021, 26, pp. 1 - 17 [Scientific article] Open Access