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Issue Date	Title	Author(s)
25-Jun-2025	Ferrofluid-Based Bioink for 3D Printed Skeletal Muscle Tissues with Enhanced Force and Magnetic Response	Fuentes Llanos, Judith; Guix Noguera, Maria; Cenev, Zoran M; Bakenecker, Anna C; Bakenecker, Anna; Ruiz-Gonzalez, Noelia; Ruiz González, Noelia; Beaune, Grégory; Timonen, Jaakko V I; Sánchez Ordóñez, Samuel; Magdanz, Veronika
3-Jul-2024	Field-Induced Slow Relaxation of the Magnetization in Two Families of [MIILnIII] Complexes	Costa Villén, Ernesto; Font Bardia, Ma. Mercedes; Mayans Ayats, Júlia; Escuer Fité, Albert
6-Aug-2024	Size-Dependent Ab Initio Atomistic Thermodynamics from Cluster to Bulk: Application to Hydration of Titania Nanoparticles	Recio-Poo, Miguel; Morales García, Ángel; Illas i Riera, Francesc; Bromley, Stefan Thomas
16-Feb-2024	Comprehensive Density Functional and Kinetic Monte Carlo Study of CO2 Hydrogenation on a Well-Defined Ni/CeO2 Model Catalyst: Role of Eley-Rideal Reactions	Lozano-Reis, Pablo; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón; Illas i Riera, Francesc
8-Feb-2024	Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected Errors	Sousa Romero, Carmen; Bagus, Paul S.; Illas i Riera, Francesc
11-Oct-2024	An Extension of the Stern–Volmer Equation for Thermally Activated Delayed Fluorescence (TADF) Photocatalysts	Limburg, Bart
3-Oct-2024	Unveiling the synergy between surface terminations and Boron configuration in Boron-based Ti3C2 MXenes electrocatalysts for Nitrogen reduction reaction	Meng, Ling; Viñes Solana, Francesc; Illas i Riera, Francesc
1-Jan-2024	Pathway to Polyradicals: A Planar and Fully π-Conjugated Organic Tetraradical(oid)	Betkhoshvili, Sergi; Moreira, Ibério de Pinho Ribeiro; Poater i Teixidor, Jordi; Bofill i Villà, Josep M.
6-Aug-2024	Contrasting Metallic (Rh0) and Carbidic (2D-Mo2C MXene) Surfaces in Olefin Hydrogenation Provides Insights on the Origin of the Pairwise Hydrogen Addition	Meng, Ling; Pokochueva, Ekaterina; Chen, Zixuan; Fedorov, Alexey; Viñes Solana, Francesc; Illas i Riera, Francesc; Koptyug, Igor V.
1-Nov-2024	An Unusual His/Asp Dyad Operates Catalysis in Agar-Degrading Glycosidases	Sagiroglugil, Mert; Nin Hill, Alba; Ficko-Blean, Elizabeth; Rovira i Virgili, Carme
1-Dec-2025	A Cartesian encoding graph neural network for crystal structure property prediction: application to thermal ellipsoid estimation	Sole Gomez, Jaume Alexandre; Mosella-Montoro, Albert; Cardona, Joan; Gómez Coca, Silvia; Aravena Ponce, Daniel Alejandro; Ruiz Sabín, Eliseo; Ruiz-Hidalgo, Javier
29-May-2024	Atomic and Electronic Structures of Co-Doped In2O3 from Experiment and Theory	Voccia, Maria; Kapse, Samadhan; Sayago-Carro, Rocío; Gómez-Cerezo, Natividad; Fernández-García, Marcos; Kubacka, Anna; Viñes Solana, Francesc; Illas i Riera, Francesc
22-Sep-2024	CO2 hydrogenation in Ru single atom catalyst encapsulated in silicalite: a DFT and microkinetic modelling study	Cánovas Montes, Manuel Antonio; Gracia Gil, Alejandro; Sayós Ortega, Ramón; Gamallo Belmonte, Pablo
4-Oct-2024	Determining the chemical ordering in nanoalloys by considering atomic coordination types	Farris, Riccardo; Neyman, Konstantin M.; Bruix Fusté, Albert
5-Dec-2024	Mechanochemistry of degree two.	Quapp, Wolfgang; Bofill i Villà, Josep M.
31-May-2025	Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium complexes	Calvo-Molina, Adrián; Jover Modrego, Jesús; Pérez-Redondo, Adrián; Yélamos, Carlos
6-Jun-2025	Bioengineering fascicle-like skeletal muscle bioactuators via pluronic-assisted co-axial 3D bioprinting (PACA-3D)	Fuentes Llanos, Judith; Mestre Castillo, Rafael; Guix Noguera, Maria; Esporrín Ubieto, David; Ghailan Tribak, Ibtissam; Ruiz González, Noelia; Patiño Padial, Tania; Sánchez Ordóñez, Samuel
1-Dec-2024	Exploring nickel-catalyzed organochalcogen synthesis via cross-coupling of benzonitrile and alkyl chalcogenols with computational tools	Gómez-Mudarra, Francisco A.; Aullón López, Gabriel; Jover Modrego, Jesús
17-May-2024	Enhancing Intramolecular Ferromagnetic Coupling in Tetrathiafulvalene-Nitronyl Nitroxide-Based Compounds through Spin Polarization Mechanism	Franquesa-Viñas, Pau; Ribas Ariño, Jordi; Santiago, Raul; Deumal i Solé, Mercè
25-Dec-2023	Tailored Design of a Water-Based Nanoreactor Technology for Producing Processable Sub-40 nm 3D COFNanoparticles at Atmospheric Conditions	Llauradó Capdevila, Gemma; Veciana, Andrea; Guarducci, Maria Aurora; Mayoral, Alvaro; Pons, Ramon; Hertle, Lukas; Ye, Hao; Mao, Minmin; Sevim, Semih; Rodríguez-San-Miguel, David; Sorrenti, Alessandro; Jang, Bumjin; Wang, Zuobin; Chen, Xiang-Zhong; Nelson, Bradley J.; Matheu Montserrat, Roc; Franco, Carlos; Pané, Salvador; Puigmartí-Luis, Josep

Recent Submissions

Ferrofluid-Based Bioink for 3D Printed Skeletal Muscle Tissues with Enhanced Force and Magnetic Response

Field-Induced Slow Relaxation of the Magnetization in Two Families of [MIILnIII] Complexes

Size-Dependent Ab Initio Atomistic Thermodynamics from Cluster to Bulk: Application to Hydration of Titania Nanoparticles

Comprehensive Density Functional and Kinetic Monte Carlo Study of CO2 Hydrogenation on a Well-Defined Ni/CeO2 Model Catalyst: Role of Eley-Rideal Reactions

Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected Errors