Canonical, deprotonated, or zwitterionic? II. A computational study on amino acid interaction with the TiO2(110) rutile surface: comparison with the anatase (101) surface
Pantaleone, S, Rimola, A, Sodupe, M
Published in Physical chemistry chemical physics : PCCP (07.08.2020)
Published in Physical chemistry chemical physics : PCCP (07.08.2020)
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Realistic Models of Hydroxylated Amorphous Silica Surfaces and MCM-41 Mesoporous Material Simulated by Large-scale Periodic B3LYP Calculations
Ugliengo, P., Sodupe, M., Musso, F., Bush, I. J., Orlando, R., Dovesi, R.
Published in Advanced materials (Weinheim) (02.12.2008)
Published in Advanced materials (Weinheim) (02.12.2008)
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Journal Article
Canonical, deprotonated, or zwitterionic? II. A computational study on amino acid interaction with the TiO 2 (110) rutile surface: comparison with the anatase (101) surface
Pantaleone, S, Rimola, A, Sodupe, M
Published in Physical chemistry chemical physics : PCCP (07.08.2020)
Published in Physical chemistry chemical physics : PCCP (07.08.2020)
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Journal Article
Exploring the Esterase Catalytic Activity of Minimalist Heptapeptide Amyloid Fibers
Roldan, L., Rodríguez‐Santiago, L., Didier‐Marechal, J., Sodupe, M.
Published in Chemistry : a European journal (05.09.2024)
Published in Chemistry : a European journal (05.09.2024)
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Site-selective-induced isomerization of formamide
Oberli, S, González-Vázquez, J, Rodríguez-Perelló, E, Sodupe, M, Martín, F, Picón, A
Published in Physical chemistry chemical physics : PCCP (2019)
Published in Physical chemistry chemical physics : PCCP (2019)
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First Report of Ilyonectria robusta Causing Black Foot Disease of Grapevine in Spain
Martínez-Diz, M P, Díaz-Losada, E, Armengol, J, León, M, Berlanas, C, Andrés-Sodupe, M, Gramaje, D
Published in Plant disease (01.11.2018)
Published in Plant disease (01.11.2018)
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Reactivity of Metal Carbenes with Olefins: Theoretical Insights on the Carbene Electronic Structure and Cyclopropanation Reaction Mechanism
de Brito Sá, E, Rimola, A, Rodríguez-Santiago, L, Sodupe, M, Solans-Monfort, X
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.02.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.02.2018)
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The Different Nature of Bonding in Cu+-Glycine and Cu2+-Glycine
Bertrán, J, Rodríguez-Santiago, L, Sodupe, M
Published in The journal of physical chemistry. B (25.03.1999)
Published in The journal of physical chemistry. B (25.03.1999)
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Thioflavin-based molecular probes for application in Alzheimer's disease: from in silico to in vitro models
Rodríguez-Rodríguez, C, Telpoukhovskaia, M A, Alí-Torres, J, Rodríguez-Santiago, L, Manso, Y, Bailey, G A, Hidalgo, J, Sodupe, M, Orvig, C
Published in Metallomics (01.01.2015)
Published in Metallomics (01.01.2015)
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Ground and Low-Lying States of Cu2+−H2O. A Difficult Case for Density Functional Methods
Poater, J, Solà, M, Rimola, A, Rodríguez-Santiago, L, Sodupe, M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.07.2004)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.07.2004)
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[2 + 2] Photocycloaddition of 2(5H)-Furanone to Unsaturated Compounds. Insights from First Principles Calculations and Transient-Absorption Measurements
Cucarull-González, J. R, Hernando, J, Alibés, R, Figueredo, M, Font, J, Rodríguez-Santiago, L, Sodupe, M
Published in Journal of organic chemistry (02.07.2010)
Published in Journal of organic chemistry (02.07.2010)
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On the Bonding of First-Row Transition Metal Cations to Guanine and Adenine Nucleobases
Noguera, M, Branchadell, V, Constantino, E, Ríos-Font, R, Sodupe, M, Rodríguez-Santiago, L
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.10.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.10.2007)
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