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Marco Foscato

Researcher
  • E-mailMarco.Foscato@uib.no
  • Visitor Address
    Realfagbygget, Allégt. 41
  • Postal Address
    Postboks 7803
    5020 BERGEN
Academic article
  • 2019. DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules. Journal of Chemical Information and Modeling. 4077-4082.
  • 2018. Spin Crossover in a Hexaamineiron(II) Complex: Experimental Confirmation of a Computational Prediction. Chemistry - A European Journal. 5082-5085.
  • 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.
  • 2018. Bimolecular Coupling as a Vector for Decomposition of Fast-Initiating Olefin Metathesis Catalysts. Journal of the American Chemical Society. 6931-6944.
  • 2017. Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization. Journal of the American Chemical Society. 16609-16619.
  • 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.
  • 2016. Computer-aided molecular design of imidazole-based absorbents for CO2 capture. International Journal of Greenhouse Gas Control. 55-63.
  • 2015. Ring closure to form metal chelates in 3D fragment-based de novo design. Journal of Chemical Information and Modeling. 1844-1856.
  • 2015. Integration of ligand field molecular mechanics in Tinker. Journal of Chemical Information and Modeling. 1282-1290.
  • 2015. Evolutionary de novo design of phenothiazine derivatives for dye-sensitized solar cells . Journal of Materials Chemistry A. 9851-9860.
  • 2014. Automated design of realistic organometallic molecules from fragments. Journal of Chemical Information and Modeling. 767-780.
  • 2014. Automated building of organometallic complexes from 3D fragments. Journal of Chemical Information and Modeling. 1919-1931.
  • 2013. Thermodynamic analysis of enzyme enantioselectivity: a statistical approach by means of new differential HybridMIF descriptors. Biocatalysis and Biotransformation. 272-280.
Lecture
  • 2019. Changing Oxidation State Paradigms in Ruthenium-Catalyzed Olefin Metathesis.
  • 2017. Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Deactivation, Regeneration, and Isomerization.
  • 2017. Cheminformatics for the Design of Functional Transition Metal Compounds.
  • 2016. Computational Design of Functional Organometallic Complexes.
  • 2015. Evolutionary de novo design of absorbents for CO2 capture.
  • 2015. Evolutionary de novo design of absorbents for CO2 capture.
Academic lecture
  • 2019. Oxidation State Paradigms in Olefin Metathesis.
  • 2018. Automated in silico design of homogeneous catalysts.
  • 2017. Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization.
  • 2015. Automated design of realistic organometallic complexes and catalysts.
  • 2015. Automated Prediction of Optimized Ruthenium Catalysts for Olefin Metathesis.
  • 2015. Automated Prediction of Optimized Ruthenium Catalysts for Olefin Metathesis.
  • 2014. Evolutionary de novo design of absorbents for CO2 capture.
  • 2014. Automated in Silico Design of Homogeneous Catalysts.
Software
  • 2019. DE Novo OPTimization of In/organic Molecules (DENOPTIM).
Doctoral dissertation
  • 2015. A method for automated de novo design of functional transition-metal compounds.
Academic chapter/article/Conference paper
  • 2015. Evolution inspector: Interactive visual analysis for evolutionary molecular design. 2 pages.
Poster
  • 2019. Reviving Metathesis: Ethylene-Triggered Formation of Ruthenium-Alkylidene .
  • 2019. Automated design of Fe(II) spin crossover compounds: a successful story.
  • 2017. Mechanisms Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization.
  • 2017. In Silico Evaluation of Olefin Metathesis Catalysts: the Importance of Monitoring More than One Elementary Reaction.
  • 2015. Evolutionary de Novo Design of Absorbents for CO2 Capture.
  • 2014. Automated Design of Organometallic Compounds from 3D Fragments.
  • 2014. A de novo design approach to enhance the optical properties of azobenzenes.
  • 2013. QSPR-Guided de novo Design of Organic Photovoltaic Dyes.
  • 2013. Automatic building of transition metal compounds from fragments: a class-based approach.
  • 2012. DENOPTIM: De novo OPTimization of Inorganic Molecules.
  • 2012. DENOPTIM: De novo OPTimization of Inorganic Molecules.
Academic literature review
  • 2020. Automated in silico design of homogeneous catalysts. 2354-2377.

More information in national current research information system (CRIStin)