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Issue Date	Title	Author(s)
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
1-Dec-2023	“On-The-Fly” Synthesis of Self-Supported LDH Hollow Structures Through Controlled Microfluidic Reaction-Diffusion Conditions	Mattera, Michelle; Sorrenti, Alessandro; Gregorio Perpiñá, Lídia de; Oestreicher, Víctor; Sevim, Semih; Arteaga Barriel, Oriol; Chen, Xiang-Zhong; Pané, Salvador; Abellán, Gonzalo; Puigmartí-Luis, Josep
21-Feb-2024	On-surface magnetocaloric effect for a Van der Waals Gd(III) 2D MOF grown on Si	Hill, Stephen; Kumar, Subodh; Gabarró Riera, Guillem; Arauzo, Ana; Hrubý, Jakub; Bogani, Lapo; Rubio-Zuazo, Juan; Jover Modrego, Jesús; Bartolomé, Elena; Sañudo Zotes, Eva Carolina
29-Mar-2023	Theoretical study of the mechanism of the hydrogen evolution reaction on the V2C MXene: Thermodynamic and kinetic aspects	López, Martí; Exner, Kai S.; Viñes Solana, Francesc; Illas i Riera, Francesc
7-Jun-2023	Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review	Meng, Ling; Viñes Solana, Francesc; Illas i Riera, Francesc
7-Feb-2023	A computational map of the probe CO molecule adsorption and dissociation on transition metal low Miller indices surfaces	Vázquez Parga, David; Jurado, Anabel; Roldan, Alberto; Viñes Solana, Francesc
22-Mar-2023	Thermodynamic kinetic and dynamic aspects of biogas upgrading using nano-engineered grazynes	Viñes Solana, Francesc; Calzada Escrig, Adrià; Gamallo Belmonte, Pablo
1-Dec-2023	Electrostatic Gating of Phosphorene Polymorphs	Malayee, F.M.; Bagheri, R.; Nazari, Fariba; Illas i Riera, Francesc
28-Feb-2024	Constant-pH Simulations of a Coarse-Grained Model of Polyfunctional Weak Charged Biopolymers	Naranjo, Daniel; Blanco Andrés, Pablo M.; Garcés, Josep Lluís; Madurga Díez, Sergio; Mas i Pujadas, Francesc
1-Oct-2023	Temperature-Dependent Antiferromagnetic Exchange along 1D Linear Regular Chains of the Phthalonitrile Blatter Radical	Chrysochos,N.; Constantinides, C.P.; Leitus, G.M.; Kourtellaris, A.; Lawson, D.B.; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Carvajal, M. Àngels; Zissimou, G.A.; Nicolaides, C.; Trypiniotis, T.; Koutentis, P.A.
1-Jan-2024	Cooperativity in Hydrogen-Bonded Macrocycles Derived from Nucleobases	Almacellas, David; van der Lubbe, Stephanie C. C.; Grosch, Alice A.; Tsagri, Iris; Fonseca Guerra, Célia; Poater i Teixidor, Jordi
1-Jan-2024	Multiple hydrogen-bonded dimers: Are only the frontier atoms relevant?	Nieuwland, Celine; Almacellas, David; Veldhuizen, Mac M.; de Azevedo Santos, Lucas; Poater i Teixidor, Jordi; Fonseca Guerra, Célia
1-Jan-2024	Non-Innocent π Linkers Affect Cooperativity in Hydrogen-Bonded Macrocycles	Almacellas, David; van der Lubbe, Stephanie C. C.; Grosch, Alice A.; Tsagri, Iris; Poater i Teixidor, Jordi; Fonseca Guerra, Célia
28-Dec-2023	Binding of cholesterol to the N-terminal domain of the NPC1L1 transporter: Analysis of the epimerization-related binding selectivity and loop mutations	Valdivia, Aitor; Luque Garriga, F. Xavier; Llabrés Prat, Salomé
5-May-2023	Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation	Pengthaisong, Salila; Piniello, Beatriz; Davies, Gideon J.; Rovira i Virgili, Carme; Ketudat Cairns, James R.
27-Feb-2023	Effect of terminations on the hydrogen evolution reaction mechanism on Ti3C2 MXene	Meng, Ling; Yan, Li-Kai; Viñes Solana, Francesc; Illas i Riera, Francesc
5-Jan-2023	Design of highly microporous activated carbons based on walnut shell biomass for H2 and CO2 storage	Serafin, Jarosław; Dziejarski, Bartosz; Cruz Junior, Orlando F.; Sreńscek-Nazzal, Joanna
1-Feb-2023	A critical review over the removal of paracetamol (acetaminophen) from synthetic waters and real wastewaters by direct, hybrid catalytic, and sequential ozonation processes	Peralta-Hernández, J.M.; Brillas, Enric

Recent Submissions

Exploring nickel-catalyzed organochalcogen synthesis via cross-coupling of benzonitrile and alkyl chalcogenols with computational tools

Enhancing Intramolecular Ferromagnetic Coupling in Tetrathiafulvalene-Nitronyl Nitroxide-Based Compounds through Spin Polarization Mechanism

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