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Issue Date	Title	Author(s)
13-May-2022	Gas-Phase Errors Affect DFT-Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide	Almeida, Michell O.; Kolb, Manuel J.; Lanza, Marcos R. V; Illas i Riera, Francesc; Calle Vallejo, Federico
24-Jan-2022	Computer Simulation to Rationalize "Rational" Engineering of Glycoside Hydrolases and Glycosyltransferases	Coines, Joan; Cuxart Sanchez, Irene; Teze, David; Rovira i Virgili, Carme
6-Apr-2022	Enzymatic Hydrolysis of Human Milk Oligosaccharides. The Molecular Mechanism of Bifidobacterium Bifidum Lacto-N-biosidase	Cuxart Sanchez, Irene; Coines, Joan; Esquivias Bautista de Lisbona, Oriol; Faijes, Magda; Planas, Antoni; Biarnés, Xevi; Rovira i Virgili, Carme
1-Dec-2022	MXenes à la Carte: Tailoring the Epitaxial Growth Alternating Nitrogen and Transition Metal Layers	Gouveia, J.D.; Morales García, Ángel; Viñes Solana, Francesc; Gomes, J.R.B.; Illas i Riera, Francesc
Jan-2023	Building a molecular PrussianBlueAnalogue FeII/CoIII cube around a Cs+ ion; a preferred, tight, robust, water soluble, and kinetically inert encapsulator	Gallen Ortiz, Albert; Jover Modrego, Jesús; Ferrer García, Montserrat; Martínez López, Manuel, 1957-
7-Apr-2023	Substrate-assisted mechanism for the degradation of n-glycans by a gut bacterial mannoside phosphorylase	Alfonso Prieto, Mercedes; Cuxart Sanchez, Irene; Potocki-Véronèse, Gabrielle; André, Isabelle; Rovira i Virgili, Carme
4-Feb-2023	Magnetic and electronic properties of KMn1-xMxBi (M = Cu, Mg, Zn) solid solutions	Martínez-Aguilar, E.; Hmok, H.; Betancourt, I.; Ribas Ariño, Jordi; Siqueiros Beltrones, J.M.
20-Mar-2023	Fine-tuning of the spin-crossover properties of Fe(III) complexes via ligand design	Vidal, Daniel; Cirera Fernández, Jordi; Ribas Ariño, Jordi
18-Nov-2013	Dividing the Spoils: Role of Pyrazine Ligands and Perchlorate Counterions in the Magnetic Properties of Bis(pyrazine)diperchloratecopper(II), [Cu(pz)<sub>2</sub>](ClO<sub>4</sub>)<sub>2</sub>	Vela Llausí, Sergi; Jornet Somoza, Joaquim; Turnbull, Mark M.; Feyerherm, Ralf; Novoa Vide, Juan J.; Deumal i Solé, Mercè
20-Aug-2012	Tracing the sources of the different magnetic behavior in the two phases of the bistable (BDTA)2[Co(mnt)2] compound	Vela Llausí, Sergi; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Novoa Vide, Juan J.
29-Sep-2023	Theoretical study of electrocatalytic properties of low-dimensional freestanding PbTiO3 for hydrogen evolution reactions	Ouahrani, Tarik; Boufatah, Reda M.; Bendaoudi, Loubna; Bedrane, Zeyneb; Morales García, Ángel; Errandonea, Daniel
2015	Towards the tailored design of benzotriazinyl-based organic radicals displaying a spin transition	Fumanal Quintana, María; Vela Llausí, Sergi; Novoa Vide, Juan J.; Ribas Ariño, Jordi
22-Aug-2023	Immunometabolic actions of trabectedin and lurbinectedin on human macrophages: relevance for their anti-tumor activity	Povo-Retana, A.; Fariñas, M.; Landauro-Vera, R.; Mojena, M.; Alvarez-Lucena, C.; Fernández-Moreno, M.A.; Castrillo, C.; delaRosa-Medina, J.V.; Sánchez-García, S.; Foguet, C.; Mas i Pujadas, Francesc; Marin, S.; Cascante, M.; Boscá, L.
28-Jul-2023	Collection of Partition Coefficients in Hexadecyltrimethylammonium Bromide, Sodium Cholate, and Lithium Perfluorooctanesulfonate Micellar Solutions: Experimental Determination and Computational Predictions	Saranjam, Leila; Nedyalkova, Miroslava; Fuguet i Jordà, Elisabet; Simeonov, Vasil; Mas i Pujadas, Francesc; Madurga Díez, Sergio
14-Apr-2023	One-pot organocatalyzed synthesis of tricyclic indolizines	Zeoly, Lucas A.; Acconcia, Lais V.; Rodrigues, Jr., Manoel T.; Santos, Hugo; Cormanich, Rodrigo A.; Paniagua, Juan Carlos; Moyano i Baldoire, Albert; Coelho, Fernando
5-Jul-2023	How does thickness affect magnetic coupling in Ti-based MXenes	García-Romeral, Néstor; Morales García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
24-Jul-2020	Tuning Single-Molecule Conductance in Metalloporphyrin-based Wires via Supramolecular Interactions	Aragonès, Albert C.; Martín-Rodríguez, Alejandro; Aravena, Daniel; Puigmartí-Luis, Josep; Amabilino, David B.; Aliaga-Alcalde, Núria; González-Campo, Arántzazu; Ruiz Sabín, Eliseo; Díez Pérez, Ismael
16-Nov-2022	Playing catch and release with single molecules: mechanistic insights into plasmon-controlled nanogaps	Domke, Katrin F.; Aragonès, Albert C.
30-Apr-2022	Electric fields as actuators in unimolecular contacts	Domke, Katrin F.; Aragonès, Albert C.
14-Jun-2023	Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes	Blanco, Pablo M.; Narambuena, Claudio F.; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Garcés, Josep Lluís

Recent Submissions

Tailored Design of a Water-Based Nanoreactor Technology for Producing Processable Sub-40 nm 3D COFNanoparticles at Atmospheric Conditions

“On-The-Fly” Synthesis of Self-Supported LDH Hollow Structures Through Controlled Microfluidic Reaction-Diffusion Conditions

On-surface magnetocaloric effect for a Van der Waals Gd(III) 2D MOF grown on Si

Theoretical study of the mechanism of the hydrogen evolution reaction on the V2C MXene: Thermodynamic and kinetic aspects

Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review