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openAccessCisplatin physisorbed.pdf.jpg15-jul-2019Cisplatin physisorbed on graphene oxide prototypes: a computational studyBartolomei, Massimiliano CSIC ORCID ; Cuevas Flores, M. R.; García-Revilla, M. A.; Coletti, Ceciliapóster de congreso
openAccessEnergy exchange rate coefficients.pdf.jpg9-feb-2021Energy exchange rate coefficients from vibrational inelastic O2(ς g-3) + O2(ς g-3) collisions on a new spin-averaged potential energy surfaceHong, Q.; Sun, Quanhua; Pirani, Fernando; Valentín-Rodríguez, Mónica A. CSIC ORCID; Hernández-Lamoneda, Ramón; Coletti, Cecilia; Hernández, Marta I. CSIC ORCID; Bartolomei, Massimiliano CSIC ORCID artículo
openAccessfchem-07.pdf.jpg22-may-2019Full dimensional potential energy function and calculation of state-specific properties of the CO+N2 inelastic processes within an open molecular science cloud perspectiveLombardi, Andrea; Pirani, Fernando; Bartolomei, Massimiliano CSIC ORCID ; Coletti, Cecilia; Laganà, Antonioartículo
openAccessmolecules_Orek_et_al_2023.pdf.jpg7-may-2023Graphene as Nanocarrier for Gold(I)-Monocarbene Complexes: Strength and Nature of PhysisorptionOrek, Cahit; Bartolomei, Massimiliano CSIC ORCID ; Coletti, Cecilia; Bulut, Niyaziartículo
openAccessjctc_Hong_et_al_2023.pdf.jpg12-dic-2023Improved Quantum-Classical Treatment of N2-N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data SetsHong, Qizhen; Storchi, Loriano; Sun, Quanhua; Bartolomei, Massimiliano CSIC ORCID ; Pirani, Fernando; Coletti, Ceciliaartículo
openAccessepjD_QHong_et_al_2023.pdf.jpg1-jul-2023Inelastic N2+H2 collisions and quantum-classical rate coefficients: large datasets and machine learning predictionsHong, Qizhen; Storchi, Loriano; Bartolomei, Massimiliano CSIC ORCID ; Pirani, Fernando; Sun, Quanhua; Coletti, Ceciliaartículo
openAccessInelastic rate coefficients.pdf.jpg3-abr-2020Inelastic rate coefficients based on an improved potential energy surface for N2+ N2collisions in a wide temperature rangeHong, Q.; Sun, Quanhua; Bartolomei, Massimiliano CSIC ORCID ; Pirani, Fernando; Coletti, Ceciliaartículo
openAccessInteraction_Cuevas_Art2020.pdf.jpg2020Interaction and Reactivity of Cisplatin Physisorbed on Graphene Oxide Nano-PrototypesCuevas Flores, M. R.; Bartolomei, Massimiliano CSIC ORCID ; García-Revilla, M. A.; Coletti, Ceciliaartículo
openAccessInteraction and reactivity.pdf.jpg21-feb-2019Interaction and reactivity of cisplatin physisorbed on graphene oxide prototypesBartolomei, Massimiliano CSIC ORCID ; Cuevas Flores, M. R.; García-Revilla, M. A.; Coletti, Ceciliacomunicación de congreso
openAccessReconciling Experimental and Theoretical Vibrational.pdf.jpg2-jun-2021Reconciling experimental and theoretical vibrational deactivation in low-energy O + N2collisionsHong, Q.; Bartolomei, Massimiliano CSIC ORCID ; Esposito, Fabrizio; Coletti, Cecilia; Sun, Quanhua; Pirani, Fernandoartículo
openAccessVibrational deactivation.pdf.jpg30-ago-2022Vibrational deactivation in O(3P) + N2 collisions: from an old problem towards its solutionHong, Qizhen; Bartolomei, Massimiliano CSIC ORCID ; Pirani, Fernando; Esposito, Fabrizio; Sun, Quanhua; Coletti, Ceciliaartículo
openAccessVibrational Energy Transfer.pdf.jpg25-nov-2021Vibrational Energy Transfer in CO+N2 Collisions: A Database for V–V and V–T/R Quantum-Classical Rate CoefficientsHong, Qizhen; Bartolomei, Massimiliano CSIC ORCID ; Coletti, Cecilia; Lombardi, Andrea; Sun, Quanhua; Pirani, Fernandoartículo