Mercedes Alonso (M Alonso)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 43

Top Topics

Density Functional Theory

Gold Nanoparticles

Top Venues

Chemistry (Weinheim an der Bergstrasse, Germany)

The Journal of organic chemistry

Inorganic chemistry

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Luis Leyva-Parra, Irene Casademont-Reig, Ricardo Pino Rios, Lina María Ruiz, Mercedes Alonso, William Tiznado
New Perspectives on Delocalization Pathways in Aromatic Molecular Chameleons. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Luis Leyva-Parra, Irene Casademont-Reig, Ricardo Pino Rios, Lina María Ruiz, Mercedes Alonso, William Tiznado
New Perspectives on Delocalization Pathways in Aromatic Molecular Chameleons. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (12) (2024)
Matthew J G Sinclair, Nil Roig, Matthew R Gyton, Nikolaos Tsoureas, F Geoffrey N Cloke, Mercedes Alonso, Adrian B Chaplin
T-Shaped Palladium and Platinum {MNO} 10 Nitrosyl Complexes. Inorganic chemistry 63 (4) (2024)
Sandeep Kumar Thakur, Nil Roig, Roger Monreal-Corona, Jens Langer, Mercedes Alonso, Sjoerd Harder
Similarities and Differences in Benzene Reduction with Ca, Sr, Yb and Sm: Strong Evidence for Tetra-Anionic Benzene. Angewandte Chemie (International ed. in English) (2024)
Matthew J G Sinclair, Nil Roig, Matthew R Gyton, Nikolaos Tsoureas, F Geoffrey N Cloke, Mercedes Alonso, Adrian B Chaplin
T-Shaped Palladium and Platinum {MNO} 10 Nitrosyl Complexes. Inorganic chemistry 63 (4) (2024)
Sandeep Kumar Thakur, Nil Roig, Roger Monreal-Corona, Jens Langer, Mercedes Alonso, Sjoerd Harder
Similarities and Differences in Benzene Reduction with Ca, Sr, Yb and Sm: Strong Evidence for Tetra-Anionic Benzene. Angewandte Chemie (International ed. in English) 63 (25) (2024)
Matthew J G Sinclair, Nil Roig, Matthew R Gyton, Nikolaos Tsoureas, F Geoffrey N Cloke, Mercedes Alonso, Adrian B Chaplin
T-Shaped Palladium and Platinum {MNO} 10 Nitrosyl Complexes. Inorganic chemistry (2024)
Jochen Eeckhoudt, Mercedes Alonso, Paul Geerlings, Frank de Proft
Bond Lengths and Dipole Moments of Diatomic Molecules under Isotropic Pressure with the XP-PCM and GOSTSHYP Models. Journal of chemical theory and computation (2024)
Sergio Moles Quintero, Louis Van Nyvel, Nil Roig, Juan Casado, Mercedes Alonso
Electron Transport through Linear-, Broken-, and Cross-Conjugated Polycyclic Compounds. The journal of physical chemistry. A 128 (30) (2024)
Luis Leyva-Parra, Irene Casademont-Reig, Ricardo Pino Rios, Lina María Ruiz, Mercedes Alonso, William Tiznado
New Perspectives on Delocalization Pathways in Aromatic Molecular Chameleons. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (12) (2024)
Sergio Moles Quintero, Louis Van Nyvel, Nil Roig, Juan Casado, Mercedes Alonso
Electron Transport through Linear-, Broken-, and Cross-Conjugated Polycyclic Compounds. The journal of physical chemistry. A (2024)
Eline Desmedt, Irene Casademont-Reig, Roger Monreal-Corona, Freija De Vleeschouwer, Mercedes Alonso
Aromaticity in the Spectroscopic Spotlight of Hexaphyrins. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Matthew J G Sinclair, Nil Roig, Matthew R Gyton, Nikolaos Tsoureas, F Geoffrey N Cloke, Mercedes Alonso, Adrian B Chaplin
T-Shaped Palladium and Platinum {MNO} 10 Nitrosyl Complexes. Inorganic chemistry 63 (4) (2024)
Mercedes Alonso, Tom Bettens, Jochen Eeckhoudt, Paul Geerlings, Frank de Proft
Wandering through quantum-mechanochemistry: from concepts to reactivity and switches. Physical chemistry chemical physics : PCCP (2023)
Ryotaro Moriyasu, Sergio Moles Quintero, Carlos J Gómez-García, Kazumasa Suzuki, Chitoshi Kitamura, Michihisa Murata, Mercedes Alonso, Juan Casado, Shin-Ichiro Kato
Isomerism tunes the diradical character of difluorenopyrroles at constant Hückel-level anti-aromaticity. Chemical science 14 (46) (2023)
Eline Desmedt, David Smets, Tatiana Woller, Mercedes Alonso, Freija De Vleeschouwer
Designing hexaphyrins for high-potential NLO switches: the synergy of core-modifications and meso -substitutions. Physical chemistry chemical physics : PCCP (2023)
Luis Leyva-Parra, Ricardo Pino Rios, Diego Inostroza, Miquel Solá, Mercedes Alonso, William Tiznado
Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations. Chemistry (Weinheim an der Bergstrasse, Germany) (2023)
Eline Desmedt, Léa Serrano Gimenez, Freija De Vleeschouwer, Mercedes Alonso
Application of Inverse Design Approaches to the Discovery of Nonlinear Optical Switches. Molecules (Basel, Switzerland) 28 (21) (2023)
Tom Bettens, Mercedes Alonso, Paul Geerlings, Frank de Proft
Mechanochemical Felkin-Anh Model: Achieving Forbidden Reaction Outcomes with Mechanical Force. The Journal of organic chemistry (2023)
Tom Bettens, Mercedes Alonso, Paul Geerlings, Frank de Proft
Mechanochemical Felkin-Anh Model: Achieving Forbidden Reaction Outcomes with Mechanical Force. The Journal of organic chemistry 88 (4) (2023)
Gemma L Parker, Ruben Van Lommel, Nil Roig, Mercedes Alonso, Adrian B Chaplin
Modulation of Metal Carbonyl Stretching Frequencies in the Second Coordination Sphere through the Internal Stark Effect. Chemistry (Weinheim an der Bergstrasse, Germany) (2022)
Irene Casademont-Reig, Tatiana Woller, Victor Garcia, Julia Contreras-García, William Tiznado, Miquel Torrent-Sucarrat, Eduard Matito, Mercedes Alonso
Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins. Chemistry (Weinheim an der Bergstrasse, Germany) (2022)
Ruben Van Lommel, Julie Van Hooste, Johannes Vandaele, Gert Steurs, Tom Van der Donck, Frank De Proft, Susana Rocha, Dimitrios Sakellariou, Mercedes Alonso, Wim Michel De Borggraeve
Does Supramolecular Gelation Require an External Trigger? Gels (Basel, Switzerland) 8 (12) (2022)
Ruben Van Lommel, Julie Van Hooste, Johannes Vandaele, Gert Steurs, Tom Van der Donck, Frank De Proft, Susana Rocha, Dimitrios Sakellariou, Mercedes Alonso, Wim Michel De Borggraeve
Does Supramolecular Gelation Require an External Trigger? Gels (Basel, Switzerland) 8 (12) (2022)
Ruben Van Lommel, Julie Van Hooste, Johannes Vandaele, Gert Steurs, Tom Van der Donck, Frank De Proft, Susana Rocha, Dimitrios Sakellariou, Mercedes Alonso, Wim Michel De Borggraeve
Does Supramolecular Gelation Require an External Trigger? Gels (Basel, Switzerland) 8 (12) (2022)
Bing-Yu Li, Lauren Voets, Ruben Van Lommel, Fien Hoppenbrouwers, Mercedes Alonso, Steven H L Verhelst, Wim Michel De Borggraeve, Joachim Demaerel
SuFEx-enabled, chemoselective synthesis of triflates, triflamides and triflimidates. Chemical science 13 (8) (2022)
Jochen Eeckhoudt, Tom Bettens, P Geerlings, Roberto Cammi, Bo Chen, Mercedes Alonso, Frank de Proft
Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms. Chemical science 13 (32) (2022)
Ruben Van Lommel, Wim Michel De Borggraeve, Frank De Proft, Mercedes Alonso
Computational Tools to Rationalize and Predict the Self-Assembly Behavior of Supramolecular Gels. Gels (Basel, Switzerland) 7 (3) (2021)
Tom Bettens, Jochen Eeckhoudt, Marvin Hoffmann, Mercedes Alonso, Paul Geerlings, Andreas Dreuw, Frank de Proft
Designing Force Probes Based on Reversible 6π-Electrocyclizations in Polyenes Using Quantum Chemical Calculations. The Journal of organic chemistry 86 (11) (2021)
Xavier Deraet, Jan Turek, Mercedes Alonso, Frederik Tielens, Stefaan Cottenier, Paul W Ayers, Bert M Weckhuysen, Frank de Proft
Reactivity of Single Transition Metal Atoms on a Hydroxylated Amorphous Silica Surface: A Periodic Conceptual DFT Investigation. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (19) (2021)
Tom Bettens, Marvin Hoffmann, Mercedes Alonso, Paul Geerlings, Andreas Dreuw, Frank de Proft
Mechanochemically Triggered Topology Changes in Expanded Porphyrins. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (10) (2021)
Nitai Sylvetsky, Ambar Banerjee, Mercedes Alonso, Jan M L Martin
Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Hückel-Möbius Interconversions in Expanded Porphyrins. Journal of chemical theory and computation 16 (6) (2020)
Xavier Deraet, Lauren Voets, Ruben Van Lommel, Guido Verniest, Frank De Proft, Wim Michel De Borggraeve, Mercedes Alonso
Stereoselective Reductions of 3-Substituted Cyclobutanones: A Comparison between Experiment and Theory. The Journal of organic chemistry 85 (12) (2020)
Tom Bettens, Mercedes Alonso, Frank de Proft, Trevor A Hamlin, Friedrich Matthias Bickelhaupt
Ambident Nucleophilic Substitution: Understanding Non-HSAB Behavior through Activation Strain and Conceptual DFT Analyses. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (17) (2020)
Tatiana Woller, Ambar Banerjee, Nitai Sylvetsky, Golokesh Santra, Xavier Deraet, Frank De Proft, Jan M L Martin, Mercedes Alonso
Performance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-Systems. The journal of physical chemistry. A 124 (12) (2020)
Jonas Verhoeven, Xavier Deraet, Vineet Pande, Weimei Sun, Mercedes Alonso, Frank De Proft, Lieven Meerpoel, Jan Willem Thuring, Guido Verniest
Synthesis and Reactivity of Spirocarbocycles as Scaffolds for Nucleoside Analogues. The Journal of organic chemistry 85 (23) (2020)
Steven Verlinden, Tatiana Woller, Frank De Proft, Guido Verniest, Mercedes Alonso
Towards the Design of Optically Active Thiophene S-Oxides using Quantum Chemistry. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (11) (2019)
Ruben Van Lommel, Laurens A J Rutgeerts, Wim Michel De Borggraeve, Frank de Proft, Mercedes Alonso
Rationalising Supramolecular Hydrogelation of Bis-Urea-Based Gelators through a Multiscale Approach. ChemPlusChem 85 (2) (2019)
Tom Bettens, Mercedes Alonso, Paul Geerlings, Frank de Proft
The hunt for reactive alkynes in bio-orthogonal click reactions: insights from mechanochemical and conceptual DFT calculations. Chemical science 11 (5) (2019)
Ruben Van Lommel, Laurens A J Rutgeerts, Wim Michel De Borggraeve, Frank de Proft, Mercedes Alonso
Rationalising Supramolecular Hydrogelation of Bis-Urea-Based Gelators through a Multiscale Approach. ChemPlusChem 85 (2) (2019)
Heiko Bauer, Mercedes Alonso, Christian Fischer, Bastian Rösch, Holger Elsen, Sjoerd Harder
Simple Alkaline-Earth Metal Catalysts for Effective Alkene Hydrogenation. Angewandte Chemie (International ed. in English) 57 (46) (2018)
Thijs Stuyver, Mickael Perrin, Paul Geerlings, Frank De Proft, Mercedes Alonso
Conductance Switching in Expanded Porphyrins through Aromaticity and Topology Changes. Journal of the American Chemical Society 140 (4) (2018)
Tatiana Woller, Paul Geerlings, Frank De Proft, Benoît Champagne, Mercedes Alonso
Aromaticity as a Guiding Concept for Spectroscopic Features and Nonlinear Optical Properties of Porphyrinoids. Molecules (Basel, Switzerland) 23 (6) (2018)