English   español  

Browsing by Author rp01201

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 1 to 20 of 102  next >
RightsPreviewIssue DateTitleAuthor(s)Type
closedAccessaccesoRestringido.pdf.jpg2009A bond-bond description of the intermolecular interaction energy: The case of the weakly bound acetylene-hydrogen complexThibault, F.; Cappelletti, David; Pirani, Fernando; Bartolomei, Massimiliano  artículo
closedAccessaccesoRestringido.pdf.jpg2008A bond-bond description of the intermolecular interaction energy: The case of weakly bound N2-H2 and N2-N2 complexesCappelletti, David; Pirani, Fernando; Bussery-Honvault, B.; Gomez, L.; Bartolomei, Massimiliano  artículo
openAccessA combined experimental.pdf.jpg15-Apr-2019A combined experimental and theoretical investigation of Cs+ ions solvated in HeN clustersPérez de Tudela, Ricardo ; Martini, Paul; Goulart, Marcelo; Scheier, Paul; Pirani, F.; Hernández-Rojas, Javier; Bretón, José; Ortiz de Zárate, J.; Bartolomei, Massimiliano  ; González-Lezana, Tomás  ; Hernández, Marta I. ; Campos-Martínez, José ; Villarreal, Pablo artículo
openAccess21-Feb-2019A cooperative multi-proton mechanism for proton permeation in grapheneCampos-Martínez, José ; Hernández, Marta I. ; Hernández-Lamoneda, Ramón; Bartolomei, Massimiliano  comunicación de congreso
closedAccessaccesoRestringido.pdf.jpg2012A full dimensional grid empowered simulation of the CO 2 + CO 2 processesBartolomei, Massimiliano  ; Pirani, Fernando; Laganà, Antonio; Lombardi, Andreaartículo
closedAccessaccesoRestringido.pdf.jpg20-Mar-2017A global optimization perspective on molecular clustersMarques, J.M.C.; Pereira, F. B.; Llanio-Trujillo, J. L.; Abreu, P. E.; Albertí, M.; Aguilar, A.; Pirani, Fernando; Bartolomei, Massimiliano  artículo
openAccessA multi-proton cooperative.pdf.jpg15-Jul-2019A multi-proton cooperative mechanism for graphene permeation of protonsCampos-Martínez, José ; Hernández, Marta I. ; Hernández-Lamoneda, Ramón; Bartolomei, Massimiliano  póster de congreso
openAccessA new cooperative.pdf.jpg11-Jun-2019A new cooperative mechanism for the permeation of H/H+ through hydrogenated/protonated grapheneBartolomei, Massimiliano  ; Hernández, Marta I. ; Campos-Martínez, José ; Hernández-Lamoneda, Ramónpóster de congreso
openAccessMBartolomei.pdf.jpg2013A new method for the calculation of the interaction between atoms and small molecules and graphene-based surfacesBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Campos-Martínez, José ; Pirani, Fernandocomunicación de congreso
openAccessANovelNanoporous.pdf.jpg26-Sep-2016A novel nanoporous graphite based on graphynes: first-principles structure and carbon dioxide preferential physisorptionBartolomei, Massimiliano  ; Giorgi, Giacomoartículo
closedAccessaccesoRestringido.pdf.jpg4-May-2012A realistic potential to study oxygen dimers and oligomersCarmona-Novillo, Estela ; Bartolomei, Massimiliano  ; Hernández, Marta I. ; Campos-Martínez, José comunicación de congreso
closedAccessaccesoRestringido.pdf.jpg2012Ab initio rovibrational structure of the lowest singlet state of O 2-O 2Carmona-Novillo, Estela ; Bartolomei, Massimiliano  ; Hernández, Marta I. ; Campos-Martínez, José ; Hernández-Lamoneda, Ramónartículo
openAccessjcp-08-128-214304-o2-o2-quintu-our.pdf.jpg3-Jun-2008Accurate ab initio intermolecular potential energy surface for the quintet state of the O2(3Σ(-)(g))-O2((3)Σ(-)(g)) dimerBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Hernández, Marta I. ; Campos-Martínez, José ; Hernández-Lamoneda, Ramónartículo
openAccessMBartolomei0001.pdf.jpg2013Accurate global potentials for the interaction between rare gases and graphene-based surfaces. A joint atom-bond and computational approachBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Hernández, Marta I. ; Campos-Martínez, José ; Pirani, Fernandopóster de congreso
openAccess2013Accurate global potentials for the interaction between rare gases and graphene-based surfaces. A joint atom-bond and computational approachBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Hernández, Marta I. ; Campos-Martínez, José ; Pirani, Fernandocomunicación de congreso
openAccess9-Oct-2014Accurate global potentials for the interaction between rare gases and graphene-based surfaces. Diffraction and quasibound statesBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Hernández, Marta I. ; Campos-Martínez, José ; Pirani, Fernandopóster de congreso
openAccessCoroneneH2N_revised.pdf.jpg5-Sep-2017Adsorption of molecular hydrogen on coronene with a new potential energy surfaceBartolomei, Massimiliano  ; Pérez de Tudela, Ricardo ; Arteaga, Kilian; González-Lezana, Tomás  ; Hernández, Marta I. ; Campos-Martínez, José ; Villarreal, Pablo ; Hernández-Rojas, Javier; Bretón, José; Pirani, Fernandoartículo
openAccessSupplementary information.pdf.jpg28-Jun-2019Aggregation enhancement of coronene molecules by seeding with alkali-metal ionsBartolomei, Massimiliano  ; Pirani, F.; Marques, J.M.C.artículo
openAccessopen-shell monomers.pdf.jpg11-May-2020An unrestricted approach for the accurate calculation of the interaction potentials of open-shell monomers: The case of O2–O2Valentín-Rodríguez, Mónica A.; Bartolomei, Massimiliano  ; Hernández, Marta I. ; Campos-Martínez, José ; Hernández-Lamoneda, Ramónartículo
closedAccessaccesoRestringido.pdf.jpg2014Can density functional theory methods be used to simulate the ε phase of solid oxygen?Bartolomei, Massimiliano  ; Pérez Ríos, Jesús ; Carmona-Novillo, Estela ; Hernández, Marta I. ; Campos-Martínez, José artículo