- ADVANCES IN CATALYSIS Computational Insights into Catalytic Transformations Preface
- Biosca, Maria
- COMPUTATIONAL INSIGHTS INTO CATALYTIC TRANSFORMATIONS,75,IX-X,2024
- Applicability domain of a calibration model based on neural networks and infrared spectroscopy
- Rodriguez-Barrios, M. Suliany; Ferre, Joan; Larrechi, M. Soledad; Ruiz, Enric
- CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS,254,-,2024
- Asymmetric hydrogenation using Rh- and Ir-complexes with P-stereogenic phosphine/aminophosphine containing ligands
- Biosca, Maria; Tarr, Daniel; Pamies, Oscar; Dieguez, Montserrat
- ADVANCES IN ORGANOMETALLIC CHEMISTRY, VOL. 81,81,349-388,2024
- CaY@C2n : Exploring Molecular Qubits with Ca-Y Metal-Metal Bonds
- Qiu, Jiawei; Abella, Laura; Du, Xiya; Cao, Zhengkai; He, Zhiwen; Meng, Qingyu; Yan, Yingjing; Poblet, Josep M.; Sun, Lei; Rodriguez-Fortea, Antonio; Chen, Ning
- JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,146,24310-24319,2024
- Chiral 1-Phosphabarrelene-Pyridines as Suitable Ligands for the Rh/Ir-Catalyzed Asymmetric Hydrogenation of Olefins
- Salto, Joan; Tarr, Daniel; Petrov, Andrey; Reich, Dorian; Weber, Manuela; Biosca, Maria; Pamies, Oscar; Mueller, Christian; Dieguez, Montserrat
- ADVANCED SYNTHESIS & CATALYSIS,366,813-821,2024
- Combining DFT and experimental studies in enantioselective catalysis: From rationalization to prediction
- Biosca, Maria; Besora, Maria; Maseras, Feliu; Pamies, Oscar; Dieguez, Montserrat
- COMPUTATIONAL INSIGHTS INTO CATALYTIC TRANSFORMATIONS,75,23-54,2024
- Comparative analysis of the performance of different approaches for the adaptation of a calibration model for diesel analysis
- Rodriguez-Barrios, Suliany; Ruiz, Enric; Larrechi, M. Soledad; Ferre, Joan
- INFRARED PHYSICS & TECHNOLOGY,141,-,2024
- Computational modeling of the epoxidation of alkenes with hydrogen peroxide catalyzed by transition metal-substituted polyoxometalates
- Sole-Daura, Albert; Carbo, Jorge J.
- COMPUTATIONAL INSIGHTS INTO CATALYTIC TRANSFORMATIONS,75,95-129,2024
- Earth-Abundant Transition Metal Catalyzed Reactions Preface
- Ollevier, Thierry; Dieguez, Montserrat
- EARTH-ABUNDANT TRANSITION METAL CATALYZED REACTIONS,74,XI-XII,2024
- Electron-beam-promoted fullerene dimerization in nanotubes: insights from DFT computations
- Abella, Laura; Novell-Leruth, Gerard; Ricart, Josep M.; Poblet, Josep M.; Rodriguez-Fortea, Antonio
- BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY,20,92-100,2024
- Epoxidation at Isolated Titanium Site Modeled by Ti-Siloxy-Polyoxometalates Built on [α-A-XW9O34]n- and [α-B-YW9O33]9-: Comparative Study of Their Hydrolytic Stability
- Bidi, Ludivine K.; Sole-Daura, Albert; Zhang, Teng; Desjonqueres, Alix; Poblet, Josep M.; Proust, Anna; Carbo, Jorge J.; Guillemot, Geoffroy
- CHEMCATCHEM,17,-,2025
- Exploring reactivity of fluorine transfer hypervalent iodine reagents: A quantum chemical perspective
- Biosca, Maria; Himo, Fahmi
- COMPUTATIONAL INSIGHTS INTO CATALYTIC TRANSFORMATIONS,75,1-22,2024
- Fluoride Clusterfullerenes: Tuning Metal-Metal Bonding and Magnetic Properties via Single Fluorine Atom Doping
- Shen, Yi; Rosello, Yannick; Abella, Laura; Qiu, Jiawei; Du, Xiya; Meng, Qingyu; Zheng, Lihao; Cao, Zhengkai; He, Zhiwen; Poblet, Josep M.; Echegoyen, Luis; Sun, Lei; Rodriguez-Fortea, Antonio; Chen, Ning
- JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,146,34924-34933,2024
- From Alkenes to Cyclic Carbonates with a Stable Iron-Cross-Bridged Cyclam Catalyst
- Bin Yeamin, Md; Annunziata, Alfonso; Ruffo, Francesco; Masdeu-Bulto, Anna M.
- CHEMISTRYSELECT,9,-,2024
- Heterometallic Transition Metal Oxides Containing Lewis Acids as Molecular Catalysts for the Reduction of Carbon Dioxide to Carbon Monoxide with Bimodal Activity
- Azaiza-Dabbah, Dima; Wang, Fei; Haddad, Elias; Sole-Daura, Albert; Carmieli, Raanan; Poblet, Josep M.; Vogt, Charlotte; Neumann, Ronny
- JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,146,27871-27885,2024
- Impact of the motivational interviewing for childhood obesity treatment: The Obemat2.0 randomized clinical trial
- Luque, Veronica; Feliu, Albert; Closa-Monasterolo, Ricardo; Munoz-Hernando, Judit; Ferre, Natalia; Gutierrez-Marin, Desiree; Guillen, Nuria; Basora, Josep; Hsu, Pablo; Alegret-Basora, Clara; Serrano, M. angels; Mallafre, Marta; Alejos, Ana M.; Balcells, Eva N.; Boada, Angels; Paixa, Sandra; Mimbrero, Gisela; Gil-Mancha, Susana; Tudela-Valls, Carol; Alcazar, Mireia; Escribano, Joaquin
- PEDIATRIC OBESITY,19,-,2024
- Iron, Cobalt and Nickel complexes with N4-donor ligands catalysts for the CO2 photoreduction
- El Aouni, Nassima; Aghmiz, Ali; Reguero, Mar; Masdeu-Bulto, Anna M.
- MOLECULAR CATALYSIS,565,-,2024
- Mechanism Insight into Direct Amidation Catalyzed by Zr Salts: Evidence of Zr Oxo Clusters as Active Species
- Zhang, Yujie; Puiggali-Jou, Jordi; Mullaliu, Angelo; Sole-Daura, Albert; Carbo, Jorge J.; Parac-Vogt, Tatjana N.; de Azambuja, Francisco
- INORGANIC CHEMISTRY,63,20347-20360,2024
- Mechanism of Asymmetric Homologation of Alkenylboronic Acids with CF3-Diazomethane via Borotropic Rearrangement
- Biosca, Maria; Szabo, Kalman J.; Himo, Fahmi
- JOURNAL OF ORGANIC CHEMISTRY,89,4538-4548,2024
- Molecular TiO2 Modifications of Supported PPh3-Capped Pd Nanocatalysts for CO2 Hydrogenation into Formates
- Fernandez-Martinez, Maria Dolores; Godard, Cyril
- CATALYSTS,14,-,2024
- New Perspectives for Low Muscle Mass Quantity/Quality Assessment in Probable Sarcopenic Older Adults: An Exploratory Analysis Study
- Besora-Moreno, Maria; Llaurado, Elisabet; Hoevel, Claudia Jimenez-ten; Sepulveda, Cristina; Queral, Judit; Bernal, Gloria; Perez-Merino, Laura; Martinez-Hervas, Sergio; Alabadi, Blanca; Ortega, Yolanda; Valls, Rosa Maria; Sola, Rosa; Pedret, Anna
- NUTRIENTS,16,-,2024
- Phosphoester bond hydrolysis by a discrete zirconium-oxo cluster: mechanistic insights into the central role of the binuclear ZrIV-ZrIV active site
- Luiz, Edinara; de Azambuja, Francisco; Sole-Daura, Albert; Puiggali-Jou, Jordi; Mullaliu, Angelo; Carbo, Jorge J.; Xavier, Fernando R.; Peralta, Rosely A.; Parac-Vogt, Tatjana N.
- CHEMICAL SCIENCE,15,18008-18021,2024
- Probing Basal and Prismatic Planes of Graphitic Materials for Metal Single Atom and Subnanometer Cluster Stabilization
- Vidal, Mathieu; Pandey, Jyoti; Navarro-Ruiz, Javier; Langlois, Joris; Tison, Yann; Yoshii, Takeharu; Wakabayashi, Keigo; Nishihara, Hirotomo; Frenkel, Anatoly I.; Stavitski, Eli; Urrutigoity, Martine; Campos, Cristian H.; Godard, Cyril; Placke, Tobias; del Rosal, Iker; Gerber, Iann C.; Petkov, Valeri; Serp, Philippe
- CHEMISTRY-A EUROPEAN JOURNAL,30,-,2024
- Reactive Force Field Development for Propane Dehydrogenation on Platinum Surfaces
- Salom-Catala, Antoni; Strugovshchikov, Evgenii; Kazmierczak, Kamila; Curulla-Ferre, Daniel; Ricart, Josep M.; Carbo, Jorge J.
- JOURNAL OF PHYSICAL CHEMISTRY C,128,2844-2855,2024
- Remote 1,4-Carbon-to-Carbon Boryl Migration: From a Mechanistic Challenge to a Valuable Synthetic Application of Bicycles
- Dominguez-Molano, Paula; Sole-Daura, Albert; Carbo, Jorge J.; Fernandez, Elena
- ADVANCED SCIENCE,11,-,2024
- Size and Surface Effects in the Ultrafast Dynamics of Strongly Cooperative Spin-Crossover Nanoparticles
- Haddock, Tyler N.; Delgado, Teresa; Alias-Rodriguez, Marc; de de Graaf, Coen; Enachescu, Cristian; van der Veen, Renske M.
- SMALL,21,-,2025
- Special Issue Dedicated to Miquel A. Pericàs
- Dieguez, Montserrat; Pfaltz, Andreas; Riera, Antoni
- ADVANCED SYNTHESIS & CATALYSIS,366,544-547,2024
- Th@C2(14)-C86 and Th@C3(18)-C86: two missing C86 isomers stabilized by the encapsulation of thorium
- Qiu, Jiawei; Zheng, Lihao; Rosello, Yannick; Merimi, Khaoula; Yao, Yang-Rong; Cao, Zhengkai; He, Zhiwen; Poblet, Josep M.; Rodriguez-Fortea, Antonio; Chen, Ning
- INORGANIC CHEMISTRY FRONTIERS,11,3578-3584,2024
- Unlocking the Asymmetric Hydrogenation of Tetrasubstituted Acyclic Enones
- Faiges, Jorge; Biosca, Maria; Pericas, Miquel A.; Besora, Maria; Pamies, Oscar; Dieguez, Montserrat
- ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,63,-,2024