A total of 131 papers, 8 book chapters, 1 book edited.
2023
- Jorge Escorihuela, Agustí Lledós, Gregori Ujaque “Anti-Markovnikov Intermolecular Hydroamination of Alkenes and Alkynes: A Mechanistic View”
Chemical Reviews , 123, 15, 939-9203 (2023)
- Andrés M. Álvarez-Constantino, Andrea Álvarez-Pérez, Giuseppe Sciortino, Jesús A. Varela, Gregori Ujaque and Carlos Saá “Medium-Sized Ru-Catalyzed Oxidative Lactamization vs Hydroamination of Alkynylamines. An Intriguing DFT Mechanistic Analysis”
Journal of Organic Chemistry, 88, 1185-1193 (2023)
2022
- Gantulga Norjmaa, Fahmi Himo, Jean‐Didier Maréchal and Gregori Ujaque “Catalysis by [Ga4L6]12- Metallocage on the Nazarov Cyclization: The Basicity of Complexed Alcohol is Key”
Chemistry A European Journal, 27, e202201792 (2022)
- Gantulga Norjmaa, Gregori Ujaque and Agustí Lledós “Beyond Continuum Solvent Models in Computational Homogeneous Catalysis”
Topics in Catalysis, 65, 118–140 (2022)
2021
- Gantulga Norjmaa, Jean‐Didier Maréchal and Gregori Ujaque “Origin of the Rate Acceleration in the C-C Reductive Elimination from Pt(IV)-complex in [M4L6]12‐ Supramolecular Metallocage”
Chemistry A European Journal, 27, 15973-15980 (2021)
- Gantulga Norjmaa, Pietro Vidossich, Jean‐Didier Maréchal and Gregori Ujaque “Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [M4L6]12– Supramolecular Organometallic Cage”
Journal of Chemical Information and Modelling, 61, 4370-4381 (2021).
- Pablo Gómez-Orellana, Agustí Lledós, Gregori Ujaque “Computational Analysis on the Pd-Catalyzed C-N Coupling of Ammonia with Aryl Bromides Using a Chelate Phosphine Ligand”
Journal of Organic Chemistry, 86, 4007–4017 (2021).
2020
- Giuseppe Sciortino, Sara Muñoz-López, Agustí Lledós, Gregori Ujaque “Comparative Mechanistic Study on [Au(NHC)]+ Catalyzed Hydration of Alkynes, Alkenes and Allenes”
Organometallics, 39, 3469−3479(2020).
- Agustí Lledós, Gregori Ujaque, Odile Eisenstein “What Makes a Good (Computed) Energy Profile?”
Topics in Organometallic Chemistry, 67, 1-38(2020).
- Ronald Nelson, Martín Calvelo, Rebeca García-Fandiño, Agustí Lledós, Gregori Ujaque, José L. Mascareñas, Fernando López “Skeletal Diversity in Pt- and Au-Catalyzed Annulations of Allenedienes: Dissecting the Mechanistic Labyrinth”
Chemical Science, 11, 4209-4220 (2020).
- Gantulga Norjmaa, Jean Didier Maréchal, Gregori Ujaque “Reaction Rate Inside the Cavity of [Ga4L6]12- Supramolecular Metallocage is Regulated by the Encapsulated Solvent”
Chemistry A European Journal, 26, 69-88-6992 (2020).
- Albert Cabré, Sergi Rafael, Giuseppe Sciortino, Gregori Ujaque, Xavier Verdaguer, Agustí Lledós and Antoni Riera “Catalytic Regioselective Isomerization of 2,2-Disubstituted Oxetanes to Homoallylic Alcohols”
Angewandte Chemie, Int. Ed. 49, 3181-3186 (2020).
- Sheila Ruiz-Botella, Pietro Vidossich, Gregori Ujaque and Eduardo Peris “A resorcinarene-based tetrabenzoimidazolylidene complex of rhodium”
Dalton Transactions, 49, 3181-3186(2020).
