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FormatDateTitleAuthor
FormatDateTitleAuthor
out url icon Recercat Dynamic behavior of hydrogen in transition metal bis(silyl) hydride complexes Horbatenko, Yevhen ; Vyboishchikov, Sergei F.
doc icon DUGiDocs 2013 January 28 Dynamic behavior of hydrogen in transition metal bis(silyl) hydride complexes Horbatenko, Yevhen ; Vyboishchikov, Sergei F.
doc icon DUGiDocs 2014 July 24 Effect of pre-bond moisture on the static and fatigue behaviour of bonded joints between CFRP laminates for structural repairs Budhe, Sandip Rudha
out url icon Recercat Effect of pre-bond moisture on the static and fatigue behaviour of bonded joints between CFRP laminates for structural repairs Budhe, Sandip Rudha
doc icon DUGiDocs 2017 November 22 Electronic structure, chemical bonding, and electronic delocalization of organic and inorganic systems with three-dimensional or excited state aromaticity El Bakouri El Farri, Ouissam
doc icon DUGiDocs 2006 Electron localization function at the correlated level Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; SolĂ  i Puig, Miquel
out url icon Recercat Electron localization function at the correlated level Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; SolĂ  i Puig, Miquel
doc icon DUGiDocs 2023 July Estudi computacional de la γ-lactonització esteroselectiva d’enllaços C-H catalitzada per complexes de Mn Gasulla i Rabionet, Jan
doc icon DUGiDocs 2021 May 11 Estudio de la influencia de los factores ambientales en el comportamiento de la uniĂłn adhesiva entre hormigĂłn y barras FRP NSM Duran Sureda, Imma
out url icon Recercat The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 2012 The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
out url icon Recercat The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes Garcia Borràs, Marc ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 2012 The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes Garcia Borràs, Marc ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 2004 The hardness profile as a tool to detect spurious stationary points in the potential energy surface Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; SolĂ  i Puig, Miquel
out url icon Recercat The hardness profile as a tool to detect spurious stationary points in the potential energy surface Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; SolĂ  i Puig, Miquel
doc icon DUGiDocs 1996 How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? Simon i Rabasseda, SĂ­lvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
out url icon Recercat How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? Simon i Rabasseda, SĂ­lvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
doc icon DUGiDocs 2001 December 20 Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions Salvador Sedano, Pedro
out url icon Recercat Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions Salvador Sedano, Pedro
out url icon Recercat The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs Castro Aguilera, Abril Carolina ; Swart, Marcel ; Guerra, CĂ©lia Fonseca
out url icon Recercat The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs Castro Aguilera, Abril Carolina ; Swart, Marcel ; Guerra, CĂ©lia Fonseca
doc icon DUGiDocs 2017 January 1 The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs Castro Aguilera, Abril Carolina ; Swart, Marcel ; Guerra, CĂ©lia Fonseca
doc icon DUGiDocs 2017 September Influència de camps elèctrics sobre complexes amb enllaços d’hidrogen: una font de mutacions en el DNA Masó Orriols, Sergi
out url icon Recercat Intramolecular halogen-halogen bonds? Johansson, Mikael P. ; Swart, Marcel
out url icon Recercat Intramolecular halogen-halogen bonds? Johansson, Mikael P. ; Swart, Marcel
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