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Vidar Remi Jensens bilde

Vidar Remi Jensen

Professor
  • E-postVidar.Jensen@uib.no
  • Telefon+47 55 58 34 89+47 936 07 809
  • Besøksadresse
    Realfagbygget, Allégt. 41
    Rom 
    2040
  • Postadresse
    Postboks 7803
    5020 BERGEN

Masteroppgaver blir gitt innen følgende forskningsområder

Så godt som alle aktuelle masteroppgaver vil være vil være relatert til enten industriell eller enzymatisk katalyse. Og selv om hovedverktøyet i forskningsgruppen er kvantekjemi og molekylmodellering, kan teoretiske/eksperimentelle kombinasjonsoppgaver samt rent eksperimentelle oppgaver knyttet til syntese og testing av katalysatorer også tilbys.

 

 Oppgavetema: Industriell katalyse

Studiene av industrielle katalysereaksjoner er generelt rettet mot anvendelse og videreforedling av naturgass. Det aller meste av naturgassen fra norsk sokkel blir idag eksportert og benyttet som varmekilde. Naturgass er imidlertid også et svært verdifullt råstoff som kan brukes i produksjon av alt fra plast til bioproteiner. I forskningsgruppen tar vi for oss hele spekteret i naturgassens ”verdikjede”, og ser på alt fra aktivering (dehydrogenering) av alkanene i den ”rå” naturgassen til, til videre anvendelse av alkener i metatese (til andre alkener, naturprodukter, legemidler, finkjemikalier og polymere) og polymerisasjon (til plast). Det arbeides både med oppklaring av reaksjonsmekanismer og forutsigelse og utvikling av nye katalysatorer med ønsket aktivitet og selektivitet. Gruppen er også involvert i uvikling av metoder og verktøy for prediksjon av aktive katalysatorer.

 

Metodebruk i oppgaver innen industriell katalyse

Beregningskjemiske metoder

Selv om det beregningskjemiske verktøyet kan spenne fra å involvere en klassisk (Newtonsk) til en kvantemekanisk beskrivelse av det kjemiske systemet, er det i første rekke kvantekjemi som benyttes – og i særdeleshet tetthetsfunksjonalteori. Vi benytter i stor grad eksisterende programvare (bl.a. Gaussian og NWChem) i de kvantekjemiske beregningene. I oppgaver rettet mot utvikling av verktøy for prediksjon av nye katalysatorer fokuseres det på bruk av genetiske algoritmer for in silico ”Darwinistisk” utvikling av mer aktive og selektive forbindelser. Her kan det gis oppgaver som i stor grad involverer metodeutvikling og programmering.

 

Eksempel på tittel på doktorgradsoppgave som involverer beregningskjemiske metoder:

”Metallofullerenes of the Transition Metals: Theoretical Investigation of Structures and Chemical Properties”

 

Eksperimentelle metoder

Vi jobber med katalysatorer der det aktive senteret består av et overgangsmetall bundet til en eller flere organiske ligander. De fleste slike metallorganiske komplekser er ømfintlige overfor luft og vann, og syntesene foregår derfor i inert atmosfære (argon), enten i hanskeboks eller ved bruk av såkalt Schlenk-teknikk.

 

Eksempel på tittel på masteroppgave som involverer både eksperimentelle og beregningskjemiske metoder:

”Design and Synthesis of Ruthenium based Olefin Metathesis Catalysts”

 

Oppgavetema: Enzymkatalyse – aminosyre hydroksylase

Når det gjelder enzymatiske reaksjoner fokuserer gruppen på aktivering av dioksygen v.h.a. jernbaserte enzymer. Det samarbeides spesielt med gruppen til Prof. Aurora Martinez (Institutt for Biokjemi og Molekylærbiologi) for å undersøke mekanismen til jernkatalysert hydroksylase. Målet er å benytte den mekanistiske informasjonen i teori-støttet utvikling av medikamenter, d.v.s. i in silico drug design. Utvikling av slike medikamenter er viktig da mutasjoner i de jernbaserte hydroksylaseenzymene er forbundet med en rekke alvorlige sykdommer, bl.a. fenylketonuria (Føllings sykdom) og Parkinsons sykdom.

 

Metodebruk i oppgaver innen enzymkatalyse

Det beregningskjemiske verktøyet kan spenne fra å involvere en klassisk (Newtonsk) til en kvantemekanisk beskrivelse av det kjemiske systemet. Hybridmetoder av klassisk mekanikk og kvantemekanikk, der ulike deler av det kjemiske systemet beskrives av forskjellige approksimasjoner, er også aktuelle. Gruppen arbeider ikke selv eksperimentelt med enzymkatalyse, men samarbeider med en gruppe (Prof. Aurora Martinez) som utfører eksperimentelle studier.

 

Eksempel på tittel på masteroppgave som involverer klassisk mekanikk og dynamikk:

”Development of Starting Structures for QM/MM Simulations of the Catalytic Domain of Human Phenylalanine Hydroxylase using Molecular Dynamics”.

 

Eksempel på tittel på masteroppgave som involverer både kvantekjemi og eksperimentelle studier:

”Theoretical and Experimental Vibrational Spectroscopy Studies of (6R)-L-Erythro-5,6,7,8 – Tetrahydrobiopterin and Its Interaction with Phenylalanine Hydroxylase”.

 

Eksempel på tittel på doktorgradsoppgave som involverer kvantekjemi:

”Mechanistic Investigation of Aromatic Amino Acid Hydroxylases”.

  

Titler på tidligere gitte masteroppgaver

  • Design and Synthesis of Ruthenium based Olefin Metathesis Catalysts.
  • Development of Starting Structures for QM/MM Simulations of the Catalytic Domain of Human Phenylalanine Hydroxylase using Molecular Dynamics.
  • Theoretical and Experimental Vibrational Spectroscopy Studies of (6R)-L-Erythro-5,6,7,8 – Tetrahydrobiopterin and Its Interaction with Phenylalanine Hydroxylase.

 

Vitenskapelig artikkel
  • Vis forfatter(e) (2021). Toward E-selective Olefin Metathesis: Computational Design and Experimental Realization of Ruthenium Thio-Indolate Catalysts. Topics in catalysis.
  • 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). Z-Selective Monothiolate Ruthenium Indenylidene Olefin Metathesis Catalysts. Organometallics. 397-407.
  • Vis forfatter(e) (2020). Unsaturated and Benzannulated N-Heterocyclic Carbene Complexes of Titanium and Hafnium: Impact on Catalysts Structure and Performance in Copolymerization of Cyclohexene Oxide with CO2. Molecules. 4364-4384.
  • Vis forfatter(e) (2020). Silica-supported Z-selective Ru olefin metathesis catalysts. Molecular Catalysis.
  • 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). Supported Ru Olefin Metathesis Catalysts via a Thiolate Tether. Dalton Transactions. 2886-2890.
  • Vis forfatter(e) (2019). Green Solvent for the Synthesis of Linear α-Olefins from Fatty Acids. ACS Sustainable Chemistry and Engineering. 4903-4911.
  • 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) (2019). Benefit of a hemilabile ligand in deoxygenation of fatty acids to 1-alkenes. Faraday discussions. 231-248.
  • 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). The Mechanism of Rh-Catalyzed Transformation of Fatty Acids to Linear Alpha olefins. Inorganics.
  • Vis forfatter(e) (2017). Pyridine-Stabilized Fast-Initiating Ruthenium Monothiolate Catalysts for Z-Selective Olefin Metathesis. Organometallics. 3284-3292.
  • 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) (2017). A Heterogeneous Catalyst for the Transformation of Fatty Acids to α-Olefins. ACS Catalysis. 2543-2547.
  • Vis forfatter(e) (2016). Sterically (un)encumbered mer-tridentate N-heterocyclic carbene complexes of titanium(IV) for the copolymerization of cyclohexene oxide with CO2. Dalton Transactions. 14734-14744.
  • Vis forfatter(e) (2016). Phosphine-based Z-selective ruthenium olefin metathesis catalysts. Organometallics. 1825-1837.
  • Vis forfatter(e) (2016). Palladium precatalysts for decarbonylative dehydration of fatty acids to linear alpha olefins. ACS Catalysis. 7784-7789.
  • 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). Theory-assisted development of a robust and Z-selective olefin metathesis catalyst. Dalton Transactions. 11106-11117.
  • Vis forfatter(e) (2014). Neutral nickel ethylene oligo- and polymerization catalysts: Towards computational catalyst prediction and design. Chemistry - A European Journal. 7962-7978.
  • 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). Simple and highly Z‑selective ruthenium-based olefin metathesis catalyst. Journal of the American Chemical Society. 3331-3334.
  • Vis forfatter(e) (2013). Complete reaction pathway of ruthenium-catalyzed olefin metathesis of ethyl vinyl ether: kinetics and mechanistic insight from DFT. Organometallics. 2099-2111.
  • Vis forfatter(e) (2013). Accurate metal-ligand bond energies in the (2)-C2H4 and (2)-C-60 complexes of Pt(PH3)(2), with application to their Bis(triphenylphosphine) analogues. Molecular Physics. 1599-1611.
  • Vis forfatter(e) (2012). The nature of the barrier to phosphane dissociation from grubbs olefin metathesis catalysts. European Journal of Inorganic Chemistry (EurJIC). 1507-1516.
  • Vis forfatter(e) (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.
  • Vis forfatter(e) (2012). Striking a compromise: polar functional group tolerance versus insertion barrier height for olefin polymerization catalysts. Organometallics. 6022-6031.
  • Vis forfatter(e) (2012). An evolutionary algorithm for de Novo optimization of functional transition metal compounds. Journal of the American Chemical Society. 8885-8895.
  • Vis forfatter(e) (2011). Synthesis and stability of homoleptic metal(III) tetramethylaluminates. Journal of the American Chemical Society. 6323-6337.
  • Vis forfatter(e) (2011). Substrate Hydroxylation by the Oxido-Iron Intermediate in Aromatic Amino Acid Hydroxylases: A DFT Mechanistic Study. European Journal of Inorganic Chemistry (EurJIC). 2720-2732.
  • Vis forfatter(e) (2011). Neutral Nickel Oligo- and Polymerization Catalysts: The Importance of Alkyl Phosphine Intermediates in Chain Termination. Chemistry - A European Journal. 14628-14642.
  • Vis forfatter(e) (2011). Nature of the Transition Metal-Carbene Bond in Grubbs Olefin Metathesis Catalysts. Organometallics. 3522-3529.
  • Vis forfatter(e) (2011). Influence of multidentate N-donor ligands on highly electrophilic zinc initiator for the ring-opening polymerization of epoxides. Journal of Organometallic Chemistry. 1691-1697.
  • Vis forfatter(e) (2011). Formation of the Iron-Oxo Hydroxylating Species in the Catalytic Cycle of Aromatic Amino Acid Hydroxylases. Chemistry - A European Journal. 3746-3758.
  • Vis forfatter(e) (2010). On the nature of the active site in ruthenium olefin coordination-insertion polymerization catalysts. Journal of Molecular Catalysis A: Chemical. 64-74.
  • Vis forfatter(e) (2009). Synthesis of a new bidentate NHC–Ag(I) complex and its unanticipated reaction with the Hoveyda–Grubbs first generation catalyst. Tetrahedron. 7186-7194.
  • Vis forfatter(e) (2009). Metal–ligand bond strengths of the transition metals. A challenge for DFT. Journal of Physical Chemistry A. 11833-11844.
  • Vis forfatter(e) (2007). The first imidazolium-substituted metal alkylidene. Organometallics. 4383-4385.
  • Vis forfatter(e) (2007). Green and efficient synthesis of bidentate Schiff base Ru catalysts for olefin metathesis. Journal of Organic Chemistry. 3561-3564.
  • Vis forfatter(e) (2006). Structure and stability of substitutional metallofullerenes of the first-row transition metals. Fullerenes, nanotubes, and carbon nanostructures. 269-278.
  • Vis forfatter(e) (2006). Structure and stability of networked metallofullerenes of the transition metals. Journal of Physical Chemistry A. 11711-11716.
  • Vis forfatter(e) (2006). Multiple additions of palladium to C-60. Fullerenes, nanotubes, and carbon nanostructures. 365-371.
  • Vis forfatter(e) (2006). Catalytic dehydrogenation of ethane over mononuclear Cr(III) surface sites on silica. Part II. C–H activation by oxidative addition. Journal of Physical Organic Chemistry. 25-33.
  • Vis forfatter(e) (2005). Unusual temperature effects in propene polymerization using stereorigid zirconocene catalysts. ChemPhysChem. 1929-1933.
  • Vis forfatter(e) (2005). The reaction mechanism of phenylalanine hydroxylase. A question of coordination. Pteridines. 27-34.
  • Vis forfatter(e) (2005). Synthesis of methoxy-substituted phenols by peracid oxidation of the aromatic ring. Journal of Organic Chemistry. 7290-7296.
  • Vis forfatter(e) (2005). DFT investigation of the single-center, two-state model for the broken rate order of transition metal catalyzed olefin polymerization. Macromolecules. 10266-10278.
  • Vis forfatter(e) (2005). A novel efficient deoxygenation process for N-heteroarene N-oxides. Journal of Organic Chemistry. 3218-3224.
  • Vis forfatter(e) (2004). Utvikling og evaluering av ny kollokvieordning i Grunnstoffenes kjemi (KJEM120). UPED-skrift. 57-70.
  • Vis forfatter(e) (2004). Ethene copolymerization with trialkylsilyl protected polar norbornene derivates. Macromolecular Chemistry and Physics. 308-318.
  • Vis forfatter(e) (2003). Theoretical investigation of the low-energy states of CpMoCl(PMe3)2 and their role in the spin-forbidden addition of N2 and CO. Journal of Physical Chemistry A. 1424-1432.
  • Vis forfatter(e) (2003). Theoretical Investigation of the Low-Energy States of CpMoCl(PMe3)2 and Their Role in the Spin-Forbidden Addition of N2 and CO. Journal of Physical Chemistry A. 1424-1432.
  • Vis forfatter(e) (2002). Reduction of chromium in ethylene polymerization using bis(imido)chromium(VI) catalyst precursors. Chemical Engineering Communications. 542-543.
  • Vis forfatter(e) (2001). A theoretical investigation of bis(imido)chromium(VI) cations as polymerization catalysts. Organometallics. 616-626.
  • Vis forfatter(e) (2000). Activity of Homogenous Cromium(III)-Based Alkene Polymerization Catalysts: The Lack of Importance of the Barrier to Ethylene Insertion. Organometallics. 403-410.
  • Vis forfatter(e) (1998). Structure and thermodynamics of Gaseous Oxides, Hydroxides and mixed Oxo-hydroxides of Chromium, CrOm/(OH)n. Journal of Physical Chemistry A. 10414-10423.
  • Vis forfatter(e) (1998). An investigation of the quantum chemical description of the ethylenic double bond in reactions. Part II Insertion of ethylene into a titanium-carbo bond. Journal of Computational Chemistry. 947-947.
  • Vis forfatter(e) (1997). Quantum chemical investigation of ethylene insertion into the Cr-CH3 bond in CrCl(H2O)CH3+ as a model of homogeneous ethylene polymerization. Organometallics. 2514-2522.
  • Vis forfatter(e) (1997). Evaluation of PM3(tm ) as a geometry generator in theoretical studies of transition-metal based catalysts for polymerizing olefins. Journal of Molecular Modeling. 193-202.
  • Vis forfatter(e) (1996). The use of multivariate methods in the analysis of calculated reaction pathways. Journal of Computational Chemistry. 1197-1216.
  • Vis forfatter(e) (1996). An investigation of the quantum chemical description of the etylenic double bond in reactions. Part I. The electrophilic addition of hydrocloric acid to ethylene. Journal of Chemical Physics. 6910.
  • Vis forfatter(e) (1995). Titanium-Ethylene Complexes Proposed to be Intermediates in Ziegler-Natta Catalysis. Can they be detected through Vibrational Spectroscopy? Organometallics. 4349-4358.
  • Vis forfatter(e) (1995). The Ziegler-Natta Ethylene Insertion Reaction For a Five-Coordinate Titanium Chloride Complex Bridged to an Aluminium Hydride Cocatalyst. Journal of the American Chemical Society. 4109-4117.
  • Vis forfatter(e) (1995). Raman spectroscopic and ab initio quantum chemical investigations of molecules and complex ions in the molten system CsCl-NbCl%f-NbOCl%d. Inorganic Chemistry. 4360-4369.
  • Vis forfatter(e) (1995). Raman spectroscopic and ab initio quantum chemical investigations of molecules and complex ions in the molten system CsCl-NbCl%f-NbOCl%d. Inorganic Chemistry. 4360-4369.
  • Vis forfatter(e) (1994). Studier av kjemiske reaksjonsmekanismer på Paragon. MPP-nytt. 8-9.
Faglig foredrag
  • Vis forfatter(e) (2017). Sustainable Transformation of Fatty Acids to Alpha-Olefins.
  • Vis forfatter(e) (2017). Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Deactivation, Regeneration, and Isomerization.
  • Vis forfatter(e) (2017). De Novo Design of Inorganic Compounds.
  • Vis forfatter(e) (2016). Synthesis of Alpha-Olefins from Renewable Fatty Acids.
  • Vis forfatter(e) (2016). Palldium Precatalysts for Decarbonylative Dehydration of Fatty Acids to Linear Alpha Olefins.
  • Vis forfatter(e) (2016). Computational Design of Homogeneous Catalysts and Other Functional Organometallic Compounds.
  • Vis forfatter(e) (2016). Computational Design of Functional Organometallic Complexes.
  • Vis forfatter(e) (2015). microAlgae-prosjektet - kort introduksjon.
  • 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.
  • Vis forfatter(e) (2014). Theory-Assisted Development of Z-selective Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2014). Theory-Assisted Development of Z-Selective Olefin Metathesis Catalysts.
Vitenskapelig foredrag
  • Vis forfatter(e) (2021). The Role of the Cyclopentadienol Ligand in Ir-catalyzed Deoxygenation of Model Lignin Bio-oil Compounds .
  • Vis forfatter(e) (2019). Toward E-selective Olefin Metathesis.
  • Vis forfatter(e) (2019). The mechanism of Ir-catalyzed reduction of phenol to benzene.
  • Vis forfatter(e) (2019). The benefit of a hemilabile ligand in deoxygenation of fatty acids to 1-alkenes.
  • Vis forfatter(e) (2019). The Life, Death, and Resurrection of Ruthenium Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2019). Synergy Between Theory and Experiment: Overcoming Challenges in Ru-Catalyzed Olefin Metathesis.
  • Vis forfatter(e) (2019). Oxidation State Paradigms in Olefin Metathesis.
  • Vis forfatter(e) (2019). De Novo Design of Functional Transition-Metal Compounds.
  • Vis forfatter(e) (2018). Automated in silico design of homogeneous catalysts.
  • Vis forfatter(e) (2017). The Mechanism of Rh-Catalyzed Transformation of Fatty Acids to Alpha-olefins; A DFT-Study.
  • Vis forfatter(e) (2017). Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization.
  • Vis forfatter(e) (2017). De Novo Design of Inorganic Compounds.
  • Vis forfatter(e) (2017). Automated Design of Functional Organometallic Complexes.
  • Vis forfatter(e) (2016). Phosphine-Based Z-Selective Ruthenium Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2016). Fast Initiating and Z-Selective Olefin Metathesis Catalysts: Yields, Functional Group Tolerance, and Application to RCM.
  • Vis forfatter(e) (2015). Theory-Assisted Design of Z-selective Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2015). Phosphine-Based Z-Selective Ruthenium Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2015). In Silico Design of Homogeneous Catalysts.
  • Vis forfatter(e) (2015). How to Teach Z Selectivity to Grubbs Catalysts.
  • Vis forfatter(e) (2015). How to Teach Z Selectivity to Grubbs Catalysts.
  • Vis forfatter(e) (2015). Computationally Driven Development of Z-Selective Olefin Metathesis Catalysts.
  • 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) (2015). Automated Design of Homogeneous Catalysts.
  • Vis forfatter(e) (2015). Artificial Evolution of Homogeneous Catalysts.
  • Vis forfatter(e) (2014). Theory-Assisted Discovery and Development of Z-Selective Olefin Metathesis Catalyst.
  • Vis forfatter(e) (2014). Robust and Z-selective Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2014). How Can Theory Help Achieve Disruptive Catalysis?
  • Vis forfatter(e) (2014). Evolutionary de novo design of absorbents for CO2 capture.
  • Vis forfatter(e) (2014). Computational Design of Organometallic Compounds: From Trial-and-Error to Automated Procedures.
  • Vis forfatter(e) (2014). Automated in Silico Design of Homogeneous Catalysts.
  • Vis forfatter(e) (2013). Z-selective ruthenium-based olefin metathesis catalysts.
  • Vis forfatter(e) (2013). Novel and Robust Z-selective Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2012). Z-selective ruthenium-based catalysts for olefin metathesis.
  • Vis forfatter(e) (2012). Theory-assisted design of homogeneous catalysts: New strategies.
  • Vis forfatter(e) (2012). Simple and Highly Z-Selective Ruthenium Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2011). Ruthenium Metathesis Catalysts Bearing β-Carboline Ligands.
  • Vis forfatter(e) (2011). Ruthenium Metathesis Catalysts Bearing 2-substituted β-Carboline Ligands.
  • Vis forfatter(e) (2010). The nature of the barrier to phosphine dissociation from Grubbs olefin metathesis catalysts.
  • Vis forfatter(e) (2010). The Stability of Metal(III) Tetramethylaluminates for Olefin Polymerization: a QSPR/DFT Study.
  • Vis forfatter(e) (2010). Neutral Ni oligo- and polymerization catalysts: A novel termination pathway decides the chain length.
  • Vis forfatter(e) (2010). Convenient Synthesis of Tridentate NHC Niobium (V) and Tantalum (V) Complexes and their Application in ROMP.
  • Vis forfatter(e) (2009). The polar functional group tolerance of transition metal catalysts for olefin polymerization.
  • Vis forfatter(e) (2009). The nature of the transition metal—alkylidene bond in Grubbs catalysts for olefin metathesis.
  • Vis forfatter(e) (2009). The mechanism of phosphine dissociation in Grubbs catalysts for olefin metathesis.
  • Vis forfatter(e) (2009). The Nature of the Metal—Alkylidene Bond in Grubbs Catalysts for Olefin Metathesis.
  • Vis forfatter(e) (2009). Systematic use of electronic structure theory in catalyst design.
  • Vis forfatter(e) (2009). Dioxygen in aromatic amino acid hydroxylases.
  • Vis forfatter(e) (2009). Accurate Enthalpies and Free Energies of Activation for Phosphine Dissociation in Grubbs’ Olefin Metathesis Catalysts.
  • Vis forfatter(e) (2008). Systematic use of electronic structure theory in design of new catalysts for olefin conversion.
  • Vis forfatter(e) (2008). Metal—ligand bond strengths of the transition metals. A challenge for DFT.
  • Vis forfatter(e) (2008). Mechanistic Investigation of Phenylalanine Hydroxylase.
  • Vis forfatter(e) (2008). Mechanistic Investigation of Phenylalanine Hydroxylase.
  • Vis forfatter(e) (2008). Mechanistic Investigation of Phenylalanine Hydroxylase.
  • Vis forfatter(e) (2008). Insight into the coordination-insertion copolymerization of ethylene with methyl acrylate.
  • Vis forfatter(e) (2007). Metal-ligand bond energies in eta-2-bonded metallofullerenes and metalloethylenes.
  • Vis forfatter(e) (2007). Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory.
  • Vis forfatter(e) (2007). Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory.
  • Vis forfatter(e) (2006). Substitutional Metallofullerenes of the d-Block Metals.
  • Vis forfatter(e) (2006). Quantitative Structure—Activity Relationships of Ruthenium Catalysts for Olefin Metathesis.
  • Vis forfatter(e) (2006). Change of spin state in organic and organometallic reactions.
  • Vis forfatter(e) (2005). Theory-based design of catalysts for olefin metathesis.
  • Vis forfatter(e) (2005). DFT-based screening of structure and stability of transition metal–doped fullerenes.
  • Vis forfatter(e) (2005). DFT-based screening of structure and stability of substitutionally doped metallofullerenes.
  • Vis forfatter(e) (2003). The Low Energy States of CpMoCl(PMe3)2 and Their Role in the Spin Forbidden Addition of N2 and CO.
  • Vis forfatter(e) (2003). Organometallic Reactions Involving Open-Shell Systems and Spin State Changes: Spin Acceleration Effects and the Explicit Calculation of Minimum Energy Crossing Points.
  • Vis forfatter(e) (2003). Organometallic Reactions Involving Open-Shell Systems and Spin State Changes: Spin Acceleration Effects and the Explicit Calculation of Minimum Energy Crossing Points.
  • Vis forfatter(e) (2003). DFT investigation of the Pd-catalyzed Suzuki-coupling of nitro-bromo-benzenes and nitrophenyl boronic acids.
  • Vis forfatter(e) (1998). The mechanism of chromium-catalysed polymerization: A theoretical study.
  • Vis forfatter(e) (1998). The mechanism of chromium-catalysed polymerization: A theoretical study.
  • Vis forfatter(e) (1998). Bonding in Chromium oxides hydroxides and mixed oxo-hydroxides.
  • Vis forfatter(e) (1994). Benchmarking GAMESS on the Intel Paragon XP/S.
Populærvitenskapelig artikkel
  • Vis forfatter(e) (2011). Modeling of chemical reactions and catalysis. META. 19-21.
  • Vis forfatter(e) (1998). Molecular modeling of metal-catalyzd reactions. Kjemi. 22-27.
Kronikk
  • Vis forfatter(e) (2016). Vi trenger en mer ansvarlig forskning. Forskning.no.
Doktorgradsavhandling
  • Vis forfatter(e) (2019). Phosphine- and Indenylidene-Based Z-Selective Ruthenium Olefin Metathesis Catalysts and Catalyst Stability: Decomposition, Olefin Isomerization and Regeneration.
  • Vis forfatter(e) (2015). A method for automated de novo design of functional transition-metal compounds.
  • Vis forfatter(e) (2011). Mechanistic Investigation of Aromatic Amino Acid Hydroxylases. A Density Functional Theory Study.
Vitenskapelig Kapittel/Artikkel/Konferanseartikkel
  • Vis forfatter(e) (2015). Evolution inspector: Interactive visual analysis for evolutionary molecular design. 2 sider.
  • Vis forfatter(e) (2010). The aromatic amino acid hydroxylase mechanism: a perspective from computational chemistry. 64 sider.
Poster
  • 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) (2010). Phosphine Dissociation in Grubbs Catalysts for Olefin Metathesis: Evidence for Activation.
  • Vis forfatter(e) (2010). Neutral Ni oligo- and polymerization catalysts: New insight from computational chemistry.
  • Vis forfatter(e) (2010). Dioxygen Binding and Formation of the Hydroxylating FeIV=O Intermediate in Aromatic Amino Acid Hydroxylases.
  • Vis forfatter(e) (2009). The polar functional group tolerance of olefin polymerization catalysts.
  • Vis forfatter(e) (2009). The polar functional group tolerance of olefin polymerization catalysts.
  • Vis forfatter(e) (2009). The Stability of Metal(III) Tetramethylaluminates: a QSPR/DFT Study.
  • Vis forfatter(e) (2009). Metal-Phosphine Bonds Strengths of the Transition Metals: A Challenge for DFT.
  • Vis forfatter(e) (2009). Catalytic cycle of phenylalanine hydroxylase.
  • Vis forfatter(e) (2009). Catalytic cycle of phenylalanine hydroxylase.
  • Vis forfatter(e) (2008). Theory-based design of homogeneous catalysts.
  • Vis forfatter(e) (2008). The first imidazolium-substituted metal alkylidene.
  • Vis forfatter(e) (2008). Sc(AlMe4)3 – Enfant Terrible!
  • Vis forfatter(e) (2008). Sc(AlMe4)3 - L’Enfant Terrible!
  • Vis forfatter(e) (2008). Metal—ligand bond strengths of the transition metals. A challenge for DFT.
  • Vis forfatter(e) (2006). Quantitative Structure Quantitative Structure−Activity Relationship Activity Relationships of Ruthenium catalysts for Olefin Metathesis.
  • Vis forfatter(e) (2006). Prediction of Structure and Stability of Networked Metallofullerenes of the Transition Metals.
  • Vis forfatter(e) (2006). Design of Catalysts for Olefin Metathesis: Development and Application of a Novel QSAR/DFT-Strategy.
  • Vis forfatter(e) (2004). Molecular modeling in nanotechnology.
  • Vis forfatter(e) (2003). The mechanism of intermediate chain migration in ansa-zirconocenes.
  • Vis forfatter(e) (2000). What are the active components in recently suggested bis(imido)chromium(VI)catalysts for ethylene polymerization? A computational investigation.
  • Vis forfatter(e) (1997). Et kvantekjemisk studie av heterogen Ziegler-Natta polymerisering av eten.
Vitenskapelig oversiktsartikkel/review
  • Vis forfatter(e) (2020). Automated in silico design of homogeneous catalysts. ACS Catalysis. 2354-2377.
  • Vis forfatter(e) (2018). Selective production of linear α-olefins via catalytic deoxygenation of fatty acids and derivatives. Catalysis Science & Technology. 1487-1499.
  • Vis forfatter(e) (2010). The aromatic amino acid hydroxylase mechanism: A perspective from computational chemistry. Advances in Inorganic Chemistry. 437-500.
  • Vis forfatter(e) (2007). Ruthenium alkylidene complexes of Chelating amine Ligands. Organometallics. 5803-5814.
  • Vis forfatter(e) (2007). Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory. Journal of the American Chemical Society. 8487-8499.
  • Vis forfatter(e) (2006). Site epimerization in ansa-zirconocene polymerization catalysts. Journal of Organometallic Chemistry. 4367-4378.
  • Vis forfatter(e) (2006). Quantitative structure-activity relationships of ruthenium catalysts for olefin metathesis. Journal of the American Chemical Society. 6952-6964.

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