Ricardo A Mata

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 49

Top Venues

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Journal of computational chemistry

Accounts of chemical research

Georg-August-Universität Göttingen

Universität Stuttgart (PHD)

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

Affiliation History

Georg-August-Universität Göttingen

Germany

Junior Professor

Education History

Universität Stuttgart

Germany

PHD

Publications

Lisa-Marie Funk, Gereon Poschmann, Fabian Rabe von Pappenheim, Ashwin Chari, Kim M Stegmann, Antje Dickmanns, Marie Wensien, Nora Eulig, Elham Paknia, Gabi Heyne, Elke Penka, Arwen R Pearson, Carsten Berndt, Tobias Fritz, Sophia Bazzi, Jon Uranga, Ricardo A Mata, Matthias Dobbelstein, Rolf Hilgenfeld, Ute Curth, Kai Tittmann
Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design. Nature communications 15 (1) (2024)
Rene Rahrt, Björn Hein-Janke, Kosala N Amarasinghe, Muhammad Shafique, Milica Feldt, Luxuan Guo, Jeremy N Harvey, Robert Pollice, Konrad Koszinowski, Ricardo A Mata
The Fe-MAN Challenge: Ferrates-Microkinetic Assessment of Numerical Quantum Chemistry. The journal of physical chemistry. A 128 (23) (2024)
Lukas Hasecke, Ricardo A Mata
Optimization of Quantum Nuclei Positions with the Adaptive Nuclear-Electronic Orbital Approach. The journal of physical chemistry. A 128 (16) (2024)
Ricardo A Mata, Tlektes Zhanabekova, Daniel A Obenchain, Martin A Suhm
Dispersion Control over Molecule Cohesion: Exploiting and Dissecting the Tipping Power of Aromatic Rings. Accounts of chemical research (2024)
Lukas Hasecke, Ricardo A Mata
Optimization of Quantum Nuclei Positions with the Adaptive Nuclear-Electronic Orbital Approach. The journal of physical chemistry. A 128 (16) (2024)
Lukas Hasecke, Ricardo A Mata
Optimization of Quantum Nuclei Positions with the Adaptive Nuclear-Electronic Orbital Approach. The journal of physical chemistry. A 128 (16) (2024)
Ricardo A Mata, Tlektes Zhanabekova, Daniel A Obenchain, Martin A Suhm
Dispersion Control over Molecule Cohesion: Exploiting and Dissecting the Tipping Power of Aromatic Rings. Accounts of chemical research 57 (8) (2024)
Ricardo A Mata, Tlektes Zhanabekova, Daniel A Obenchain, Martin A Suhm
Dispersion Control over Molecule Cohesion: Exploiting and Dissecting the Tipping Power of Aromatic Rings. Accounts of chemical research 57 (8) (2024)
Ricardo A Mata, Tlektes Zhanabekova, Daniel A Obenchain, Martin A Suhm
Dispersion Control over Molecule Cohesion: Exploiting and Dissecting the Tipping Power of Aromatic Rings. Accounts of chemical research 57 (8) (2024)
Rene Rahrt, Björn Hein-Janke, Kosala N Amarasinghe, Muhammad Shafique, Milica Feldt, Luxuan Guo, Jeremy N Harvey, Robert Pollice, Konrad Koszinowski, Ricardo A Mata
The Fe-MAN Challenge: Ferrates-Microkinetic Assessment of Numerical Quantum Chemistry. The journal of physical chemistry. A 128 (23) (2024)
Lisa-Marie Funk, Gereon Poschmann, Fabian Rabe von Pappenheim, Ashwin Chari, Kim M Stegmann, Antje Dickmanns, Marie Wensien, Nora Eulig, Elham Paknia, Gabi Heyne, Elke Penka, Arwen R Pearson, Carsten Berndt, Tobias Fritz, Sophia Bazzi, Jon Uranga, Ricardo A Mata, Matthias Dobbelstein, Rolf Hilgenfeld, Ute Curth, Kai Tittmann
Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design. Nature communications 15 (1) (2024)
Ricardo A Mata, Tlektes Zhanabekova, Daniel A Obenchain, Martin A Suhm
Dispersion Control over Molecule Cohesion: Exploiting and Dissecting the Tipping Power of Aromatic Rings. Accounts of chemical research 57 (8) (2024)
Lisa-Marie Funk, Gereon Poschmann, Fabian Rabe von Pappenheim, Ashwin Chari, Kim M Stegmann, Antje Dickmanns, Marie Wensien, Nora Eulig, Elham Paknia, Gabi Heyne, Elke Penka, Arwen R Pearson, Carsten Berndt, Tobias Fritz, Sophia Bazzi, Jon Uranga, Ricardo A Mata, Matthias Dobbelstein, Rolf Hilgenfeld, Ute Curth, Kai Tittmann
Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design. Nature communications 15 (1) (2024)
Rene Rahrt, Björn Hein-Janke, Kosala N Amarasinghe, Muhammad Shafique, Milica Feldt, Luxuan Guo, Jeremy N Harvey, Robert Pollice, Konrad Koszinowski, Ricardo A Mata
The Fe-MAN Challenge: Ferrates-Microkinetic Assessment of Numerical Quantum Chemistry. The journal of physical chemistry. A 128 (23) (2024)
Lukas Hasecke, Ricardo A Mata
Optimization of Quantum Nuclei Positions with the Adaptive Nuclear-Electronic Orbital Approach. The journal of physical chemistry. A (2024)
Rene Rahrt, Björn Hein-Janke, Kosala N Amarasinghe, Muhammad Shafique, Milica Feldt, Luxuan Guo, Jeremy N Harvey, Robert Pollice, Konrad Koszinowski, Ricardo A Mata
The Fe-MAN Challenge: Ferrates-Microkinetic Assessment of Numerical Quantum Chemistry. The journal of physical chemistry. A (2024)
Taija L Fischer, Margarethe Bödecker, Sophie M Schweer, Jennifer Dupont, Valéria Lepère, Anne Zehnacker-Rentien, Martin A Suhm, Benjamin Schröder, Tobias Henkes, Diego M Andrada, Roman M Balabin, Haobam Kisan Singh, Himangshu Pratim Bhattacharyya, Manabendra Sarma, Silvan Käser, Kai Töpfer, Luis Itza Vazquez-Salazar, Eric D Boittier, Markus Meuwly, Giacomo Mandelli, Cecilia Lanzi, Riccardo Conte, Michele Ceotto, Fabian Dietrich, Vicente Cisternas, Ramachandran Gnanasekaran, Michael F A Hippler, Mahmoud Jarraya, Majdi Hochlaf, Narasimhan Viswanathan, Thomas Nevolianis, Gabriel Rath, Wassja A Kopp, Kai Leonhard, Ricardo A Mata
The first HyDRA challenge for computational vibrational spectroscopy. Physical chemistry chemical physics : PCCP 25 (33) (2023)
Tetiana Sergeieva, T Ilgin Demirer, Axel Wuttke, Ricardo A Mata, André Schäfer, Gerrit-Jan Linker, Diego M Andrada
Revisiting the origin of the bending in group 2 metallocenes AeCp 2 (Ae = Be-Ba). Physical chemistry chemical physics : PCCP (2023)
Lukas Hasecke, Ricardo A Mata
Nuclear Quantum Effects Made Accessible: Local Density Fitting in Multicomponent Methods. Journal of chemical theory and computation (2023)
Ricardo A Mata, Anne Zehnacker-Rentien, Martin A Suhm
Benchmark experiments for numerical quantum chemistry. Physical chemistry chemical physics : PCCP (2023)
Witold M Bloch, Shinnosuke Horiuchi, Julian J Holstein, Christoph Drechsler, Axel Wuttke, Wolf Hiller, Ricardo A Mata, Guido H Clever
Maximized axial helicity in a Pd 2 L 4 cage: inverse guest size-dependent compression and mesocate isomerism. Chemical science 14 (6) (2023)
Witold M Bloch, Shinnosuke Horiuchi, Julian J Holstein, Christoph Drechsler, Axel Wuttke, Wolf Hiller, Ricardo A Mata, Guido H Clever
Maximized axial helicity in a Pd 2 L 4 cage: inverse guest size-dependent compression and mesocate isomerism. Chemical science 14 (6) (2023)
Taija L Fischer, Margarethe Bödecker, Anne Zehnacker-Rentien, Ricardo A Mata, Martin A Suhm
Setting up the HyDRA blind challenge for the microhydration of organic molecules. Physical chemistry chemical physics : PCCP 24 (19) (2022)
Oskar Weser, Björn Hein-Janke, Ricardo A Mata
Automated handling of complex chemical structures in Z-matrix coordinates-The chemcoord library. Journal of computational chemistry (2022)
Oskar Weser, Björn Hein-Janke, Ricardo A Mata
Automated handling of complex chemical structures in Z-matrix coordinates-The chemcoord library. Journal of computational chemistry 44 (5) (2022)
Oskar Weser, Björn Hein-Janke, Ricardo A Mata
Automated handling of complex chemical structures in Z-matrix coordinates-The chemcoord library. Journal of computational chemistry 44 (5) (2022)
Oskar Weser, Björn Hein-Janke, Ricardo A Mata
Automated handling of complex chemical structures in Z-matrix coordinates-The chemcoord library. Journal of computational chemistry 44 (5) (2022)
Oskar Weser, Björn Hein-Janke, Ricardo A Mata
Automated handling of complex chemical structures in Z-matrix coordinates-The chemcoord library. Journal of computational chemistry 44 (5) (2022)
Oskar Weser, Björn Hein-Janke, Ricardo A Mata
Automated handling of complex chemical structures in Z-matrix coordinates-The chemcoord library. Journal of computational chemistry 44 (5) (2022)
Xaiza Aniban, Beppo Hartwig, Axel Wuttke, Ricardo A Mata
Dispersion forces in chirality recognition - a density functional and wave function theory study of diols. Physical chemistry chemical physics : PCCP 23 (21) (2021)
Jon Uranga, Lukas Hasecke, Jonny Proppe, Jan Fingerhut, Ricardo A Mata
Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome. Journal of chemical information and modeling 61 (4) (2021)
Hannes C Gottschalk, Anja Poblotzki, Mariyam Fatima, Daniel A Obenchain, Cristóbal Pérez, Jens Antony, Alexander A Auer, Leonardo Baptista, David M Benoit, Giovanni Bistoni, Fabian Bohle, Rahma Dahmani, Dzmitry Firaha, Stefan Grimme, Andreas Hansen, Michael E Harding, Majdi Hochlaf, Christof Holzer, Georg Jansen, Willem Klopper, Wassja A Kopp, Małgorzata Krasowska, Leif C Kröger, Kai Leonhard, Muneerah Mogren Al-Mogren, Halima Mouhib, Frank Neese, Max N Pereira, Muthuramalingam Prakash, Inga S Ulusoy, Ricardo A Mata, Martin A Suhm, Melanie Schnell
The first microsolvation step for furans: New experiments and benchmarking strategies. The Journal of chemical physics 152 (16) (2020)
Jennifer Zimara, Hendrik Stevens, Rainer Oswald, Serhiy Demeshko, Sebastian Dechert, Ricardo A Mata, Franc Meyer, Dirk Schwarzer
Time-Resolved Spectroscopy of Photoinduced Electron Transfer in Dinuclear and Tetranuclear Fe/Co Prussian Blue Analogues. Inorganic chemistry 60 (1) (2020)
Anton Römer, Lukas Hasecke, Peter Blöchl, Ricardo A Mata
A Review of Density Functional Models for the Description of Fe(II) Spin-Crossover Complexes. Molecules (Basel, Switzerland) 25 (21) (2020)
Milica Feldt, Quan Manh Phung, Kristine Pierloot, Ricardo A Mata, Jeremy N Harvey
Limits of Coupled-Cluster Calculations for Non-Heme Iron Complexes. Journal of chemical theory and computation 15 (2) (2019)
Mirko Paulikat, Ricardo A Mata, Ricard Gelabert
A high-throughput computational approach to UV-Vis spectra in protein mutants. Physical chemistry chemical physics : PCCP 21 (37) (2019)
Hannes C Gottschalk, Anja Poblotzki, Martin A Suhm, Muneerah M Al-Mogren, Jens Antony, Alexander A Auer, Leonardo Baptista, David M Benoit, Giovanni Bistoni, Fabian Bohle, Rahma Dahmani, Dzmitry Firaha, Stefan Grimme, Andreas Hansen, Michael E Harding, Majdi Hochlaf, Christof Holzer, Georg Jansen, Willem Klopper, Wassja A Kopp, Leif C Kröger, Kai Leonhard, Halima Mouhib, Frank Neese, Max N Pereira, Inga S Ulusoy, Axel Wuttke, Ricardo A Mata
The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of chemical physics 148 (1) (2018)
Milica Feldt, Ricardo A Mata
Hybrid Local Molecular Orbital: Molecular Orbital Calculations for Open Shell Systems. Journal of chemical theory and computation 14 (10) (2018)
Jonas Feldt, Sebastião Miranda, Frederico Pratas, Nuno Roma, Pedro Tomás, Ricardo A Mata
Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program. The Journal of chemical physics 147 (24) (2018)
Dominic Bernhard, Fabian Dietrich, Mariyam Fatima, Cristóbal Pérez, Hannes C Gottschalk, Axel Wuttke, Ricardo A Mata, Martin A Suhm, Melanie Schnell, Markus Gerhards
The phenyl vinyl ether-methanol complex: a model system for quantum chemistry benchmarking. Beilstein journal of organic chemistry 14 (2018)
Axel Wuttke, Milica Feldt, Ricardo A Mata
All That Binds Is Not Gold-The Relative Weight of Aurophilic Interactions in Complex Formation. The journal of physical chemistry. A 122 (34) (2018)
Stefan Vogt-Geisse, Ricardo A Mata, Alejandro Toro-Labbé
High level potential energy surface and mechanism of Al(CH3)2OCH3-promoted lactone polymerization: initiation and propagation. Physical chemistry chemical physics : PCCP 19 (13) (2018)
Ricardo A Mata, Martin A Suhm
Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction? Angewandte Chemie (International ed. in English) 56 (37) (2017)
Dennis-Helmut Manz, Peng-Cheng Duan, Sebastian Dechert, Serhiy Demeshko, Rainer Oswald, Michael John, Ricardo A Mata, Franc Meyer
Pairwise H2/D2 Exchange and H2 Substitution at a Bimetallic Dinickel(II) Complex Featuring Two Terminal Hydrides. Journal of the American Chemical Society 139 (46) (2017)
Tjark H Meyer, Weiping Liu, Milica Feldt, Axel Wuttke, Ricardo A Mata, Harry L Anderson
Manganese(I)-Catalyzed Dispersion-Enabled C-H/C-C Activation. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (23) (2017)
Mirko Paulikat, Cindy Wechsler, Kai Tittmann, Ricardo A Mata
Theoretical Studies of the Electronic Absorption Spectra of Thiamin Diphosphate in Pyruvate Decarboxylase. Biochemistry 56 (13) (2017)
Alexander Wilting, Thorsten Stolper, Ricardo A Mata, Inke Siewert
Dinuclear Rhenium Complex with a Proton Responsive Ligand as a Redox Catalyst for the Electrochemical CO2 Reduction. Inorganic chemistry 56 (7) (2017)
Susanne Löffler, Jens Lübben, Axel Wuttke, Ricardo A Mata, Michael John, Birger Dittrich, Guido H Clever
Internal dynamics and guest binding of a sterically overcrowded host. Chemical science 7 (7) (2016)
Matthias Heger, Ricardo A Mata, Martin A Suhm
Soft hydrogen bonds to alkenes: the methanol-ethene prototype under experimental and theoretical scrutiny. Chemical science 6 (7) (2015)

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Publication Activity (10 Years)

Top Topics

Top Venues

Ricardo A Mata