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Mostrati risultati da 1 a 20 di 31
Titolo Autore(i) Anno Periodico Editore Tipo File
The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy Wang J.; Spada L.; Chen J.; Gao S.; Alessandrini S.; Feng G.; Puzzarini C.; Gou Q.; Grabow J.-U.;... Barone V. 2019-01-01 ANGEWANDTE CHEMIE. INTERNATIONAL EDITION - 1.01 Articolo in rivista -
A computational journey in the CH2O2S land: an accurate rotational and ro-vibrational analysis of the sulfene molecule and the O,S- and O,O-monothiocarbonic acids Alessandrini S.; Dell'Isola V.; Spada L.; Barone V.; Puzzarini C. 2020-01-01 MOLECULAR PHYSICS - 1.01 Articolo in rivista tmph_a_1766707_sm2510-1.pdf; accepted manuscript.pdf
The challenge of non-covalent interactions: Theory meets experiment for reconciling accuracy and interpretation Puzzarini C.; Spada L.; Alessandrini S.; Barone V. 2020-01-01 JOURNAL OF PHYSICS. CONDENSED MATTER - 1.01 Articolo in rivista post_print.pdf
Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex Lei J.; Alessandrini S.; Chen J.; Zheng Y.; Spada L.; Gou Q.; Puzzarini C.; Barone V. 2020-01-01 MOLECULES - 1.01 Articolo in rivista molecules-25-04899_complexes.pdf; molecules-25-04899-s001.pdf
Extension of the "cheap" Composite Approach to Noncovalent Interactions: The jun-ChS Scheme Alessandrini S.; Barone V.; Puzzarini C. 2020-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista Extension of the “cheap” composite approach.pdf
Computational molecular spectroscopy Barone, Vincenzo; Alessandrini, Silvia; Biczysko, Malgorzata; Cheeseman, James R.; Clary, David C....; McCoy, Anne B.; DiRisio, Ryan J.; Neese, Frank; Melosso, Mattia; Puzzarini, Cristina 2021-01-01 NATURE REVIEWS METHODS PRIMERS - 1.01 Articolo in rivista NRMP-20-051V1_accepted.pdf
Conformational stability of cyclopropanecarboxaldehyde is ruled by vibrational effects Alessandrini S.; Melosso M.; Jiang N.; Bizzocchi L.; Dore L.; Puzzarini C. 2021-01-01 MOLECULAR PHYSICS - 1.01 Articolo in rivista Cyclopropanecarboxaldehyde_accepted.pdf
In search of phosphorus in astronomical environments: The reaction between the CP radical (X 2ς +) and methanimine Alessandrini S.; Tonolo F.; Puzzarini C. 2021-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista Methanimine-CP_accepted.pdf
Fate of the Gas-Phase Reaction Between Oxirane and the CN Radical in Interstellar Conditions Alessandrini, S; Melosso, M 2021-01-01 FRONTIERS IN ASTRONOMY AND SPACE SCIENCES - 1.01 Articolo in rivista Alessandrini_ox+cn_2021_frontiers.pdf
Gestapelt, nicht geklebt: Enthüllung der π→π*‐Wechselwirkung mithilfe des Benzofuran‐Formaldehyd‐Komplexes Li, Xiaolong; Spada, Lorenzo; Alessandrini, Silvia; Zheng, Yang; Lengsfeld, Kevin Gregor; Grabow,... Jens‐Uwe; Feng, Gang; Puzzarini, Cristina; Barone, Vincenzo 2021-01-01 ANGEWANDTE CHEMIE - 1.01 Articolo in rivista Angewandte Chemie - 2021 - Li - Gestapelt nicht geklebt Enth llung der ‐Wechselwirkung mithilfe des.pdf
JunChS and junChS-F12 Models: Parameter-free Efficient yet Accurate Composite Schemes for Energies and Structures of Noncovalent Complexes Lupi J.; Alessandrini S.; Puzzarini C.; Barone V. 2021-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista junChS-F12.pdf
Synchrotron-based far-infrared spectroscopy of HC3N: Extended ro-vibrational analysis and new line list up to 3360 cm−1 Tamassia F.; Bizzocchi L.; Melosso M.; Martin-Drumel M.-A.; Pirali O.; Pietropolli Charmet A.; Ca...ne' E.; Dore L.; Gordon I.E.; Guillemin J.-C.; Giuliano B.M.; Caselli P.; Alessandrini S.; Barone V.; Puzzarini C. 2022-01-01 JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER - 1.01 Articolo in rivista HC3N.pdf
Rotational Spectra of Unsaturated Carbon Chains Produced by Pyrolysis: The Case of Propadienone, Cyanovinylacetylene, and Allenylacetylene 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 2022-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista Melli_pirolisi_2022_JPCA.pdf
Ab Initio Study of Fine and Hyperfine Interactions in Triplet POH Bizzocchi L.; Alessandrini S.; Melosso M.; Rivilla V.M.; Puzzarini C. 2022-01-01 MOLECULES - 1.01 Articolo in rivista Molecules_POH.pdf
Spectroscopic and Computational Characterization of 2-Aza-1,3-butadiene, a Molecule of Astrochemical Significance Jiang, Ningjing; Melosso, Mattia; Bizzocchi, Luca; Alessandrini, Silvia; Guillemin, Jean-Claude; ...Dore, Luca; Puzzarini, Cristina 2022-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista 2-azabutadiene_mm__Jiang+2022_jpca-126:1881.pdf
Dipolar spin–spin coupling as an auxiliary tool for the structure determination of small isolated molecules Bizzocchi, Luca; Alessandrini, Silvia; Melosso, Mattia; Puzzarini, Cristina 2022-01-01 PHYSICAL CHEMISTRY CHEMICAL PHYSICS - 1.01 Articolo in rivista Spin-spin_perspective__Bizzocchi+2022_pccp-24:15173.pdf
Gas-phase identification of (Z)-1,2-ethenediol, a key prebiotic intermediate in the formose reaction Melosso M.; Bizzocchi L.; Gazzeh H.; Tonolo F.; Guillemin J.-C.; Alessandrini S.; Rivilla V.M.; D...ore L.; Barone V.; Puzzarini C. 2022-01-01 CHEMICAL COMMUNICATIONS - 1.01 Articolo in rivista 1-2,ethenediol.pdf; d1cc06919e1.pdf
Precursors of the RNA World in Space: Detection of (Z)-1,2-ethenediol in the Interstellar Medium, a Key Intermediate in Sugar Formation Víctor M. Rivilla; Laura Colzi; Izaskun Jiménez-Serra; Jesús Martín-Pintado; Andrés Megías; Matti...a Melosso; Luca Bizzocchi; Álvaro López-Gallifa; Antonio Martínez-Henares; Sarah Massalkhi; Belén Tercero; Pablo de Vicente; Jean-Claude Guillemin; Juan García de la Concepción; Fernando Rico-Villas; Shaoshan Zeng; Sergio Martín; Miguel A. Requena-Torres; Francesca Tonolo; Silvia Alessandrini; Luca Dore; Vincenzo Barone; Cristina Puzzarini 2022-01-01 THE ASTROPHYSICAL JOURNAL LETTERS - 1.01 Articolo in rivista Rivilla_ethenediol_2022_ApJL.pdf
Stacked but not Stuck: Unveiling the Role of π→π* Interactions with the Help of the Benzofuran–Formaldehyde Complex Li X.; Spada L.; Alessandrini S.; Zheng Y.; Lengsfeld K.G.; Grabow J.-U.; Feng G.; Puzzarini C.; ...Barone V. 2022-01-01 ANGEWANDTE CHEMIE. INTERNATIONAL EDITION - 1.01 Articolo in rivista Benzofuran-Formaldehyde.pdf
Intersystem crossing in the entrance channel of the reaction of O(3P) with pyridine Recio, Pedro; Alessandrini, Silvia; Vanuzzo, Gianmarco; Pannacci, Giacomo; Baggioli, Alberto; Mar...chione, Demian; Caracciolo, Adriana; Murray, Vanessa J; Casavecchia, Piergiorgio; Balucani, Nadia; Cavallotti, Carlo; Puzzarini, Cristina; Barone, Vincenzo 2022-01-01 NATURE CHEMISTRY - 1.01 Articolo in rivista NatChem_O-pyridine-accepted.pdf
Mostrati risultati da 1 a 20 di 31
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