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Universitetet i Bergen
Marco Foscatos bilde

Marco Foscato

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Vitenskapelig artikkel
  • Vis forfatter(e) (2024). Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design Criterion. Journal of Chemical Information and Modeling. 412-424.
  • Vis forfatter(e) (2022). The Janus face of high trans-effect carbenes in olefin metathesis: gateway to both productivity and decomposition. Chemical Science. 5107-5117.
  • Vis forfatter(e) (2021). Bimolecular Coupling in Olefin Metathesis: Correlating Structure and Decomposition for Leading and Emerging Ruthenium−Carbene Catalysts. Journal of the American Chemical Society. 11072-11079.
  • Vis forfatter(e) (2020). Ethylene-Triggered Formation of Ruthenium Alkylidene from Decomposed Catalyst. ACS Catalysis. 6788-6797.
  • Vis forfatter(e) (2020). Challenging Metathesis Catalysts with Nucleophiles and Brønsted Base: Examining the Stability of State-of-the-Art Ruthenium Carbene Catalysts to Attack by Amines. ACS Catalysis.
  • Vis forfatter(e) (2019). DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules. Journal of Chemical Information and Modeling. 4077-4082.
  • Vis forfatter(e) (2018). Spin Crossover in a Hexaamineiron(II) Complex: Experimental Confirmation of a Computational Prediction. Chemistry - A European Journal. 5082-5085.
  • Vis forfatter(e) (2018). Rapid decomposition of olefin metathesis catalysts by a truncated N-heterocyclic carbene: Efficient catalyst quenching and n-heterocyclic carbene vinylation. ACS Catalysis. 11822-11826.
  • Vis forfatter(e) (2018). Bimolecular Coupling as a Vector for Decomposition of Fast-Initiating Olefin Metathesis Catalysts. Journal of the American Chemical Society. 6931-6944.
  • Vis forfatter(e) (2017). Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization. Journal of the American Chemical Society. 16609-16619.
  • Vis forfatter(e) (2017). Decomposition of Olefin Metathesis Catalysts by Br?nsted Base: Metallacyclobutane Deprotonation as a Primary Deactivating Event. Journal of the American Chemical Society. 16446-16449.
  • Vis forfatter(e) (2016). Computer-aided molecular design of imidazole-based absorbents for CO2 capture. International Journal of Greenhouse Gas Control. 55-63.
  • Vis forfatter(e) (2015). Ring closure to form metal chelates in 3D fragment-based de novo design. Journal of Chemical Information and Modeling. 1844-1856.
  • Vis forfatter(e) (2015). Integration of ligand field molecular mechanics in Tinker. Journal of Chemical Information and Modeling. 1282-1290.
  • Vis forfatter(e) (2015). Evolutionary de novo design of phenothiazine derivatives for dye-sensitized solar cells . Journal of Materials Chemistry A. 9851-9860.
  • Vis forfatter(e) (2014). Automated design of realistic organometallic molecules from fragments. Journal of Chemical Information and Modeling. 767-780.
  • Vis forfatter(e) (2014). Automated building of organometallic complexes from 3D fragments. Journal of Chemical Information and Modeling. 1919-1931.
  • Vis forfatter(e) (2013). Thermodynamic analysis of enzyme enantioselectivity: a statistical approach by means of new differential HybridMIF descriptors. Biocatalysis and Biotransformation. 272-280.
Faglig foredrag
  • Vis forfatter(e) (2019). Changing Oxidation State Paradigms in Ruthenium-Catalyzed Olefin Metathesis.
  • Vis forfatter(e) (2017). Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Deactivation, Regeneration, and Isomerization.
  • Vis forfatter(e) (2017). Cheminformatics for the Design of Functional Transition Metal Compounds.
  • Vis forfatter(e) (2016). Computational Design of Functional Organometallic Complexes.
  • Vis forfatter(e) (2015). Evolutionary de novo design of absorbents for CO2 capture.
  • Vis forfatter(e) (2015). Evolutionary de novo design of absorbents for CO2 capture.
Vitenskapelig foredrag
  • Vis forfatter(e) (2024). Interplay Between Tridentate Pincer Molybdenum Catalysts and SmI2 in Ammonia Synthesis.
  • Vis forfatter(e) (2024). Exploring the Potential of 45Ti in PET Imaging, Formation and Assessment of the Ti-DOTA Complex.
  • Vis forfatter(e) (2023). Establishing Protocols for Automated De Novo Design of Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2022). Taming cyclicity of Transition Metal Complexes in De Novo Design.
  • Vis forfatter(e) (2022). Protocols for Automated Evaluation of Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2019). Oxidation State Paradigms in Olefin Metathesis.
  • Vis forfatter(e) (2019). Automated Computational Design of Catalysts.
  • Vis forfatter(e) (2018). Automated in silico design of homogeneous catalysts.
  • Vis forfatter(e) (2017). Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization.
  • Vis forfatter(e) (2015). Automated design of realistic organometallic complexes and catalysts.
  • Vis forfatter(e) (2015). Automated Prediction of Optimized Ruthenium Catalysts for Olefin Metathesis.
  • Vis forfatter(e) (2015). Automated Prediction of Optimized Ruthenium Catalysts for Olefin Metathesis.
  • Vis forfatter(e) (2014). Evolutionary de novo design of absorbents for CO2 capture.
  • Vis forfatter(e) (2014). Automated in Silico Design of Homogeneous Catalysts.
Programvare
  • Vis forfatter(e) (2019). DE Novo OPTimization of In/organic Molecules (DENOPTIM).
Doktorgradsavhandling
  • Vis forfatter(e) (2015). A method for automated de novo design of functional transition-metal compounds.
Vitenskapelig Kapittel/Artikkel/Konferanseartikkel
  • Vis forfatter(e) (2015). Evolution inspector: Interactive visual analysis for evolutionary molecular design. 2 sider.
Poster
  • Vis forfatter(e) (2024). Unlocking the Potential of 45Ti for PET-imaging: The Formation and Evaluation of the Ti-DOTA Complex .
  • Vis forfatter(e) (2024). Titanium-45-DOTA for PET-imaging: L'enfant Terrible.
  • Vis forfatter(e) (2023). Multifaceted Impact of High Trans Influence/Effect in Ru-CAAC Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2023). Interplay Between Tridentate Pincer Molybdenum Catalysts and SmI2 in Ammonia Synthesis.
  • Vis forfatter(e) (2023). Automated De Novo Design and Experimental Validation of Ru-Catalysts for Metathesis: Testing the Limits of a Correlation-Based Design Criterion.
  • Vis forfatter(e) (2019). Reviving Metathesis: Ethylene-Triggered Formation of Ruthenium-Alkylidene .
  • Vis forfatter(e) (2019). Automated design of Fe(II) spin crossover compounds: a successful story.
  • Vis forfatter(e) (2017). Mechanisms Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization.
  • Vis forfatter(e) (2017). In Silico Evaluation of Olefin Metathesis Catalysts: the Importance of Monitoring More than One Elementary Reaction.
  • Vis forfatter(e) (2015). Evolutionary de Novo Design of Absorbents for CO2 Capture.
  • Vis forfatter(e) (2014). Automated Design of Organometallic Compounds from 3D Fragments.
  • Vis forfatter(e) (2014). A de novo design approach to enhance the optical properties of azobenzenes.
  • Vis forfatter(e) (2013). QSPR-Guided de novo Design of Organic Photovoltaic Dyes.
  • Vis forfatter(e) (2013). Automatic building of transition metal compounds from fragments: a class-based approach.
  • Vis forfatter(e) (2012). DENOPTIM: De novo OPTimization of Inorganic Molecules.
  • Vis forfatter(e) (2012). DENOPTIM: De novo OPTimization of Inorganic Molecules.
Vitenskapelig oversiktsartikkel/review
  • Vis forfatter(e) (2020). Automated in silico design of homogeneous catalysts. ACS Catalysis. 2354-2377.
Faglig kapittel
  • Vis forfatter(e) (2024). Evolutionary Algorithms and Workflows for De Novo Catalyst Design. 540-561. I:
    • Vis forfatter(e) (2024). Comprehensive Computational Chemistry. Elsevier.

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