- E-postgiovanni.occhipinti@uib.no
- Telefon+47 55 58 34 57
- BesøksadresseAllégaten 41Realfagbygget5007 BergenRom4G7a
- PostadressePostboks 78035020 Bergen
Vitenskapelig artikkel
- (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.
- (2023). Mesomeric Acceleration Counters Slow Initiation of Ruthenium-CAAC Catalysts for Olefin Metathesis (CAAC = Cyclic (Alkyl)(Amino) Carbene). ACS Catalysis. 5315-5325.
- (2022). The Janus face of high trans-effect carbenes in olefin metathesis: gateway to both productivity and decomposition. Chemical Science. 5107-5117.
- (2021). Toward E-selective Olefin Metathesis: Computational Design and Experimental Realization of Ruthenium Thio-Indolate Catalysts. Topics in catalysis.
- (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.
- (2020). Z-Selective Monothiolate Ruthenium Indenylidene Olefin Metathesis Catalysts. Organometallics. 397-407.
- (2020). Silica-supported Z-selective Ru olefin metathesis catalysts. Molecular Catalysis.
- (2020). Ethylene-Triggered Formation of Ruthenium Alkylidene from Decomposed Catalyst. ACS Catalysis. 6788-6797.
- (2019). Supported Ru Olefin Metathesis Catalysts via a Thiolate Tether. Dalton Transactions. 2886-2890.
- (2019). Green Solvent for the Synthesis of Linear α-Olefins from Fatty Acids. ACS Sustainable Chemistry and Engineering. 4903-4911.
- (2017). The Mechanism of Rh-Catalyzed Transformation of Fatty Acids to Linear Alpha olefins. Inorganics.
- (2017). Pyridine-Stabilized Fast-Initiating Ruthenium Monothiolate Catalysts for Z-Selective Olefin Metathesis. Organometallics. 3284-3292.
- (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). Phosphine-based Z-selective ruthenium olefin metathesis catalysts. Organometallics. 1825-1837.
- (2015). Ring closure to form metal chelates in 3D fragment-based de novo design. Journal of Chemical Information and Modeling. 1844-1856.
- (2014). Theory-assisted development of a robust and Z-selective olefin metathesis catalyst. Dalton Transactions. 11106-11117.
- (2014). Neutral nickel ethylene oligo- and polymerization catalysts: Towards computational catalyst prediction and design. Chemistry - A European Journal. 7962-7978.
- (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). Simple and highly Z‑selective ruthenium-based olefin metathesis catalyst. Journal of the American Chemical Society. 3331-3334.
- (2013). Complete reaction pathway of ruthenium-catalyzed olefin metathesis of ethyl vinyl ether: kinetics and mechanistic insight from DFT. Organometallics. 2099-2111.
- (2012). The nature of the barrier to phosphane dissociation from grubbs olefin metathesis catalysts. European Journal of Inorganic Chemistry (EurJIC). 1507-1516.
- (2012). The accuracy of DFT-optimized geometries of functional transition metal compounds: a validation study of catalysts for olefin metathesis and other reactions in the homogeneous phase. Dalton Transactions. 5526-5541.
- (2012). Striking a compromise: polar functional group tolerance versus insertion barrier height for olefin polymerization catalysts. Organometallics. 6022-6031.
- (2012). An evolutionary algorithm for de Novo optimization of functional transition metal compounds. Journal of the American Chemical Society. 8885-8895.
- (2011). Synthesis and stability of homoleptic metal(III) tetramethylaluminates. Journal of the American Chemical Society. 6323-6337.
- (2011). Neutral Nickel Oligo- and Polymerization Catalysts: The Importance of Alkyl Phosphine Intermediates in Chain Termination. Chemistry - A European Journal. 14628-14642.
- (2011). Nature of the Transition Metal-Carbene Bond in Grubbs Olefin Metathesis Catalysts. Organometallics. 3522-3529.
- (2010). On the nature of the active site in ruthenium olefin coordination-insertion polymerization catalysts. Journal of Molecular Catalysis A: Chemical. 64-74.
- (2010). A switchable oxidation process leading to two various versatile pharmaceutical intermediates. Organic Process Research & Development. 1379-1384.
- (2009). Synthesis of a new bidentate NHC–Ag(I) complex and its unanticipated reaction with the Hoveyda–Grubbs first generation catalyst. Tetrahedron. 7186-7194.
- (2009). Metal–ligand bond strengths of the transition metals. A challenge for DFT. Journal of Physical Chemistry A. 11833-11844.
- (2009). A novel simple and efficient bromination protocol for activated arenes. Tetrahedron Letters. 831-833.
- (2007). The first imidazolium-substituted metal alkylidene. Organometallics. 4383-4385.
- (2007). Green and efficient synthesis of bidentate Schiff base Ru catalysts for olefin metathesis. Journal of Organic Chemistry. 3561-3564.
- (2005). Synthesis of methoxy-substituted phenols by peracid oxidation of the aromatic ring. Journal of Organic Chemistry. 7290-7296.
Faglig foredrag
- (2017). Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Deactivation, Regeneration, and Isomerization.
- (2016). Computational Design of Functional Organometallic Complexes.
- (2014). Theory-Assisted Development of Z-selective Olefin Metathesis Catalysts.
- (2014). Theory-Assisted Development of Z-Selective Olefin Metathesis Catalysts.
Vitenskapelig foredrag
- (2024). Interplay Between Tridentate Pincer Molybdenum Catalysts and SmI2 in Ammonia Synthesis.
- (2023). Establishing Protocols for Automated De Novo Design of Olefin Metathesis Catalysts.
- (2022). Protocols for Automated Evaluation of Olefin Metathesis Catalysts.
- (2021). The Role of the Cyclopentadienol Ligand in Ir-catalyzed Deoxygenation of Model Lignin Bio-oil Compounds .
- (2021). The Role of the Cyclopentadienol Ligand in Ir-Catalyzed Deoxygenation of Phenols to Aromatics with the Ir(4PhCpOH)(H)2(PPh3) Precursor.
- (2019). Toward E-selective Olefin Metathesis.
- (2017). The Mechanism of Rh-Catalyzed Transformation of Fatty Acids to Alpha-olefins; A DFT-Study.
- (2017). Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization.
- (2016). Phosphine-Based Z-Selective Ruthenium Olefin Metathesis Catalysts.
- (2016). Fast Initiating and Z-Selective Olefin Metathesis Catalysts: Yields, Functional Group Tolerance, and Application to RCM.
- (2015). Theory-Assisted Design of Z-selective Olefin Metathesis Catalysts.
- (2015). Phosphine-Based Z-Selective Ruthenium Olefin Metathesis Catalysts.
- (2015). How to Teach Z Selectivity to Grubbs Catalysts.
- (2015). How to Teach Z Selectivity to Grubbs Catalysts.
- (2015). Computationally Driven Development of Z-Selective Olefin Metathesis Catalysts.
- (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). Theory-Assisted Discovery and Development of Z-Selective Olefin Metathesis Catalyst.
- (2014). Automated in Silico Design of Homogeneous Catalysts.
- (2013). Z-selective ruthenium-based olefin metathesis catalysts.
- (2013). Novel and Robust Z-selective Olefin Metathesis Catalysts.
- (2012). Z-selective ruthenium-based catalysts for olefin metathesis.
- (2012). Theory-assisted design of homogeneous catalysts: New strategies.
- (2012). Simple and Highly Z-Selective Ruthenium Olefin Metathesis Catalysts.
- (2011). Ruthenium Metathesis Catalysts Bearing β-Carboline Ligands.
- (2011). Ruthenium Metathesis Catalysts Bearing 2-substituted β-Carboline Ligands.
- (2010). The nature of the barrier to phosphine dissociation from Grubbs olefin metathesis catalysts.
- (2010). The Stability of Metal(III) Tetramethylaluminates for Olefin Polymerization: a QSPR/DFT Study.
- (2010). Neutral Ni oligo- and polymerization catalysts: A novel termination pathway decides the chain length.
- (2009). The polar functional group tolerance of transition metal catalysts for olefin polymerization.
- (2009). The nature of the transition metal—alkylidene bond in Grubbs catalysts for olefin metathesis.
- (2009). The mechanism of phosphine dissociation in Grubbs catalysts for olefin metathesis.
- (2009). The Nature of the Metal—Alkylidene Bond in Grubbs Catalysts for Olefin Metathesis.
- (2009). Accurate Enthalpies and Free Energies of Activation for Phosphine Dissociation in Grubbs’ Olefin Metathesis Catalysts.
- (2008). Metal—ligand bond strengths of the transition metals. A challenge for DFT.
- (2008). Insight into the coordination-insertion copolymerization of ethylene with methyl acrylate.
- (2007). Theory-Assisted Development of Catalysts for Olefin Metathesis.
- (2007). QSAR/DFT approach to insight and prediction of olefin metathesis catalysts.
Doktorgradsavhandling
- (2007). Theory-assisted prediction and synthesis of ruthenium alkylidene complexes for olefin metathesis.
Poster
- (2023). Pursuing E-Selective Olefin Metathesis: Tuning Steric and Electronic Properties of SN-Chelated Ruthenium Complexes.
- (2023). Multifaceted Impact of High Trans Influence/Effect in Ru-CAAC Olefin Metathesis Catalysts.
- (2023). Interplay Between Tridentate Pincer Molybdenum Catalysts and SmI2 in Ammonia Synthesis.
- (2023). Automated De Novo Design and Experimental Validation of Ru-Catalysts for Metathesis: Testing the Limits of a Correlation-Based Design Criterion.
- (2022). Highly Selective Hydrodeoxygenation of Phenols to Aromatics: The Quest for the Active Species.
- (2021). Progress on E-Selective Olefin Metathesis: Computational Design and Experimental Realization of a Proposed E-Selectivity Ru Olefin Metathesis Catalysts bearing Thio-indolate as Selectivity-Determining Ligands.
- (2019). Z-Selective Ru-Indenylidene Olefin Metathesis Catalysts with remarkable structural features.
- (2019). Toward E-selective Olefin Metathesis.
- (2019). Toward E-selective Olefin Metathesis.
- (2019). Toward E-Selectivity in Olefin Metathesis.
- (2019). Selective reduction of phenol to benzene via loss of substrate aromaticity.
- (2019). Reviving Metathesis: Ethylene-Triggered Formation of Ruthenium-Alkylidene .
- (2019). A Nb2O5-Supported Iridium-Based Catalyst for Hydrodeoxygenation of Lignin-Derived Model Compounds .
- (2018). Platinum Nanoparticles Immobilized on Alumina: A Highly Selective, Reusable Catalyst for the Hydrogenation of Arenols and Aryl ethers Under Mild and Neat Reaction Conditions .
- (2018). A niobia-supported iridium-based catalyst for deoxygenation of lignin-derived model compounds.
- (2018). A niobia-supported iridium-based catalyst for deoxygenation of lignin-derived model compounds.
- (2018). A Niobia-Supported Iridium-Based Catalyst for Deoxygenation of Lignin-Derived Model Compounds.
- (2018). A Nb2O5-Supported Iridium-Based Catalyst for Hydrodeoxygenation of Lignin-Derived Model Compounds .
- (2017). Z-selective Ru indenylidene olefin metathesis catalysts.
- (2017). Z-Selective Ru olefin metathesis catalysts supported on mesostructured silica.
- (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). Theory-Assisted Discovery of Z-Selective Olefin Metathesis Catalysts.
- (2015). Phosphine-Based Z-Selective Ruthenium Olefin Metathesis Catalysts.
- (2014). Automated Design of Organometallic Compounds from 3D Fragments.
- (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.
- (2010). Phosphine Dissociation in Grubbs Catalysts for Olefin Metathesis: Evidence for Activation.
- (2010). Neutral Ni oligo- and polymerization catalysts: New insight from computational chemistry.
- (2010). A Green and Efficient Bromination Process.
- (2009). The polar functional group tolerance of olefin polymerization catalysts.
- (2009). The polar functional group tolerance of olefin polymerization catalysts.
- (2009). The Stability of Metal(III) Tetramethylaluminates: a QSPR/DFT Study.
- (2009). Metal-Phosphine Bonds Strengths of the Transition Metals: A Challenge for DFT.
- (2009). A Green and Efficient Bromination Process.
- (2008). The first imidazolium-substituted metal alkylidene.
- (2008). Sc(AlMe4)3 – Enfant Terrible!
- (2008). Sc(AlMe4)3 - L’Enfant Terrible!
- (2008). Olefin Metathesis in Continuous Flow by means of the Novel Fluens Synthesis Multi-Jet Oscillating Disk (MJOD) milli-Reactor System.
- (2008). Metal—ligand bond strengths of the transition metals. A challenge for DFT.
- (2007). Olefin Metathesis in Continuous Flow by means of the Novel Fluens Synthesis Multi-Jet Oscillating Disk milli-Reactor System.
- (2006). Design of Catalysts for Olefin Metathesis: Development and Application of a Novel QSAR/DFT-Strategy.
Vitenskapelig oversiktsartikkel/review
- (2007). Ruthenium alkylidene complexes of Chelating amine Ligands. Organometallics. 5803-5814.
- (2006). Quantitative structure-activity relationships of ruthenium catalysts for olefin metathesis. Journal of the American Chemical Society. 6952-6964.