Sfoglia per Chimica e Geologia
Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution
2024 Gómez, Sara; Ambrosetti, Matteo; Giovannini, Tommaso; Cappelli, Chiara
CLUSTER MODEL STUDY OF THE CHEMISORPTION OF ATOMIC-HYDROGEN ON THE BASAL-PLANE OF GRAPHITE
1987 Barone, Vincenzo; Lelj, F; Minichino, C; Russo, N; Toscano, M.
CO 2 -, He- and H 2 -broadening coefficients of SO 2 for ν 1 band and ground state transitions for astrophysical applications
2017 Ceselin, Giorgia; Tasinato, Nicola; Puzzarini, Cristina; Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi
Cobalt complexes able to bind dioxygen: Thermodynamic studies and DFT calculations
2014 Cappelli, Chiara; Celia, Duce; Mauro, Formica; Vieri, Fusi; Lisa, Ghezzi; Luca, Giorgi; Mauro, Micheloni; Paola, Paoli; Patrizia, Rossi; Maria Rosaria, Tiné
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model
2014 Rossi, Elda; Evangelisti, Stefano; Laganà, Antonio; Monari, Antonio; Rampino, Sergio; Verdicchio, Marco; Baldridge, Kim K.; Bendazzoli, Gian Luigi; Borini, Stefano; Cimiraglia, Renzo; Angeli, Celestino; Kallay, Peter; Lüthi, Hans P.; Ruud, Kenneth; Sanchez-Marin, José; Scemama, Anthony; Szalay, Peter G.; Tajti, Attila
Collision induced broadening of ν 1 band and ground state spectral lines of sulfur dioxide perturbed by N 2 and O 2
2017 Ceselin, Giorgia; Tasinato, Nicola; Puzzarini, Cristina; Charmet, Andrea Pietropolli; Stoppa, Paolo; Giorgianni, Santi
Collisional Effects On Quantum Cascade Laser Induced Molecular Alignment
2010 Duxbury, Geoffrey; Tasinato, Nicola; Hay, Kenneth; Wilson, David; Langford, Nigel; Lewis, John; Predoi Cross, Adriana
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.
Colourless p-phenylene-spaced bis-azoles for luminescent concentrators
2016 Bellina, Fabio; Manzini, Chiara; Marianetti, Giulia; Pezzetta, Cristofer; Fanizza, Elisabetta; Lessi, Marco; Minei, Pierpaolo; Barone, Vincenzo; Pucci, Andrea
Combination of Resonance and Non-Resonance Chiral Raman Scattering in a Cobalt(III) Complex
2023 Yang, Qin; Bloino, Julien; Sestakova, Hana; Sebestik, Jaroslav; Kessler, Jiří; Hudecova, Jana; Kapitan, Josef; Bour, Petr
A Combination of Transient 2D-IR Experiments and ab initio Computations Sheds Light on the Formation of the Charge-Transfer State in Photoexcited Carbonyl Carotenoids
2014 Mariangela Di, Donato; Mireia Segado, Centellas; Andrea, Lapini; Manuela, Lima; Francisco Jose Avila, Ferrer; Fabrizio, Santoro; Cappelli, Chiara; Roberto, Righini
Combined crossed beam and theoretical studies of the C(1D)+CH4 reaction
2013 Francesca, Leonori; Skouteris, Dimitrios; Raffaele, Petrucci; Piergiorgio, Casavecchia; Marzio, Rosi; Nadia, Balucani1
Combined crossed beam and theoretical studies of the N(2D)+C2H4 reaction and implications for atmospheric models of Titan
2012 N., Balucani; Skouteris, Dimitrios; F., Leonori; R., Petrucci; M., Hamberg; W. D., Geppert; P., Casavecchia; M., Rosi
Combined crossed molecular beam and theoretical studies of the N(2D) + CH4 reaction and implications for atmospheric models of Titan
2009 Balucani, N.; Bergeat, A.; Cartechini, L.; Volpi, G. G.; Casavecchia, P.; Skouteris, Dimitrios; Rosi, M.
A combined crossed molecular beams and theoretical study of the reaction CN + C2H4
2015 Balucani, Nadia; Leonori, Francesca; Petrucci, Raffaele; Wang, Xingan; Casavecchia, Piergiorgio; Skouteris, Dimitrios; Albernaz, Alessandra F.; Gargano, Ricardo
A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution
2018 Egidi, Franco; Giovannini, Tommaso; Del Frate, Gianluca; Lemler, Paul M; Vaccaro, Patrick Henry; Cappelli, Chiara
Combined X-ray absorption spectroscopy and Molecular Dynamics study of the Hg2+ aqua ion
2007 Mancini, Giordano; N., Sanna; Barone, Vincenzo; P., D'Angelo; G., Chillemi
Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions
2021 Goletto, L.; Giovannini, T.; Folkestad, S. D.; Koch, H.
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies
2014 Mancini, Giordano; Brancato, Giuseppe; Barone, Vincenzo
Combining theory and experiment to study the photo-oxidation of polyethylene and polypropylene
2003 M., Bertoldo; S., Bronco; Cappelli, Chiara; T., Gragnoli; L., Andreotti
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