Prof. Dr. Ricardo A. Mata

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  • 2020 | Journal Article | Research Paper
    ​ ​Time-Resolved Spectroscopy of Photoinduced Electron Transfer in Dinuclear and Tetranuclear Fe/Co Prussian Blue Analogues​
    Zimara, J.; Stevens, H.; Oswald, R.; Demeshko, S. ; Dechert, S. ; Mata, R. A.   & Meyer, F.  et al.​ (2020) 
    Inorganic Chemistry, 60(1) pp. 449​-459​.​ DOI: https://doi.org/10.1021/acs.inorgchem.0c03249 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​Photochemical Properties of Re(CO)3 Complexes with and without a Local Proton Source and Implications for CO2 Reduction Catalysis​
    Paul, L. A.; Röttcher, N. C.; Zimara, J.; Borter, J.-H.; Du, J.-P.; Schwarzer, D.   & Mata, R. A.  et al.​ (2020) 
    Organometallics, 39(13) pp. 2405​-2414​.​ DOI: https://doi.org/10.1021/acs.organomet.0c00240 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper | 
    ​ ​A Review of Density Functional Models for the Description of Fe(II) Spin-Crossover Complexes​
    Römer, A.; Hasecke, L.; Blöchl, P.   & Mata, R. A. ​ (2020) 
    Molecules, 25(21) pp. 5176​.​ DOI: https://doi.org/10.3390/molecules25215176 
    ​Details  DOI 
  • 2017 | Journal Article | Research Paper
    ​ ​Efficient parallelization of perturbative Monte Carlo QM/MM simulations in heterogeneous platforms​
    Miranda, S.; Feldt, J.; Pratas, F.; Mata, R. A. ; Roma, N. & Tomás, P.​ (2017) 
    The International Journal of High Performance Computing Applications, 31(6) pp. 499​-516​.​ DOI: https://doi.org/10.1177/1094342016649420 
    ​Details  DOI 
  • 2017 | Journal Article | Research Paper
    ​ ​Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program​
    Feldt, J.; Miranda, S.; Pratas, F.; Roma, N.; Tomás, P. & Mata, R. A. ​ (2017) 
    The Journal of Chemical Physics, 147(24) art. 244105​.​ DOI: https://doi.org/10.1063/1.5009820 
    ​Details  DOI  PMID  PMC 
  • 2017 | Journal Article | Research Paper
    ​ ​Dinuclear Rhenium Complex with a Proton Responsive Ligand as a Redox Catalyst for the Electrochemical CO2 Reduction​
    Wilting, A. ; Stolper, T.; Mata, R. A.   & Siewert, I. ​ (2017) 
    Inorganic Chemistry, 56(7) pp. 4176​-4185​.​ DOI: https://doi.org/10.1021/acs.inorgchem.7b00178 
    ​Details  DOI  PMID  PMC  WoS 

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Project:  SFB 1073 | Topical Area C | C03 Vom Elektronentransfer zur chemischen Energiespeicherung: ab-initio Untersuchungen korrelierter Prozesse

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