Publications

Publications in peer-reviewed journals

(1)     The Ziegler-Natta Olefin Insertion Reaction for Cationic Metals.
Jensen, V. R.; Siegbahn, P. E. M. Chem. Phys. Lett. 1993, 212, 353-361.

(2)     Strength of the Metal-Olefin Bond in Titanium Complexes Related to Ziegler-Natta Catalysis - a Theoretical-Model Study of a Square-Pyramidal Active-Center Postulated to Be Found in Titanium Halide Based Catalysts.
Jensen, V. R.; Ystenes, M.; Wärnmark, K.; Åkermark, B.; Svensson, M.; Siegbahn, P. E. M.; Blomberg, M. R. A. Organometallics 1994, 13, 282-288.

(3)     Vibrational-Spectra and Ab-Initio Quantum-Mechanical Calculation of Energy, Geometry and Vibrational Frequencies of the Oxothiophosphate Ions PO3S3-, PO2S23- and POS33-.
Brockner, W.; Jendrzok, B.; Menzel, F.; Jensen, V. R.; Ystenes, M. J. Mol. Struct. 1994, 319, 85-100.

(4)     Vibrational Frequencies of A1F3 - an Ab-Initio Mo Study Evaluating Different Methods on a Tricky Case.
Scholz, G.; Schöffel, K.; Jensen, V. R.; Bache, O.; Ystenes, M. Chem. Phys. Lett. 1994, 230, 196-202.

(5)     Ziegler-Natta Ethylene Insertion Reaction for a 5-Coordinate Titanium Chloride Complex Bridged to an Aluminum-Hydride Cocatalyst.
Jensen, V. R.; Børve, K. J.; Ystenes, M. J. Am. Chem. Soc. 1995, 117, 4109-4117.

(6)     Titanium-Ethylene Complexes Proposed to Be Intermediates in Ziegler-Natta Catalysis - Can They Be Detected through Vibrational Spectroscopy?
Jensen, V. R.; Børve, K. J.; Westberg, N.; Ystenes, M. Organometallics 1995, 14, 4349-4358.

(7)     Raman-Spectroscopic and Ab-Initio Quantum-Chemical Investigations of Molecules and Complex-Ions in the Molten System CsCl-NbCl5-NbOCl3.
Rosenkilde, C.; Voyiatzis, G.; Jensen, V. R.; Ystenes, M.; Østvold, T. Inorg. Chem. 1995, 34, 4360-4369.

(8)     Use of multivariate methods in the analysis of calculated reaction pathways.
Alsberg, B. K.; Jensen, V. R.; Børve, K. J. J. Comput. Chem. 1996, 17, 1197-1216.

(9)     An investigation of the quantum chemical description of the ethylenic double bond in reactions .I. The electrophilic addition of hydrochloric acid to ethylene.
Børve, K. J.; Jensen, V. R. J. Chem. Phys. 1996, 105, 6910-6920.

(10)   Chromium dichloride: The unusually flat bending potential of the 5Pg-derived 5B2 ground state.
Jensen, V. R. Mol. Phys. 1997, 91, 131-137.

(11)   Quantum chemical investigation of ethylene insertion into the Cr-CH3 bond in CrCl(H2O)CH3+ as a model of homogeneous ethylene polymerization.
Jensen, V. R.; Børve, K. J. Organometallics 1997, 16, 2514-2522.

(12)   Evaluation of PM3(tm) as a geometry generator in theoretical studies of transition-metal-based catalysts for polymerizing olefins.
Børve, K. J.; Jensen, V. R.; Karlsen, T.; Støvneng, J. A.; Swang, O. Journal of Molecular Modeling 1997, 3, 193-202.

(13)   An investigation of the quantum chemical description of the ethylenic double bond in reactions: II. Insertion of ethylene into a titanium-carbon bond.
Jensen, V. R.; Børve, K. J. J. Comput. Chem. 1998, 19, 947-960.

(14)   Structure and thermodynamics of gaseous oxides, hydroxides, and mixed oxohydroxides of chromium: CrOm(OH)n (m, n = 0-2) and CrO3. A computational study.
Espelid, Ø.; Børve, K. J.; Jensen, V. R. J. Phys. Chem. A 1998, 102, 10414-10423.

(15)   Soft Bending Modes of Terminal Chlorides in Gaseous Two- and Three-Coordinate Cu(II)-Cl Species.
Ystenes, B. K.; Jensen, V. R. Inorg. Chem. 1999, 38, 3985-3993.

(16)   The role of intermediate chain migration in propene polymerization using substituted {iPr(CpFlu)}ZrCl2/MAO catalysts.
Angermund, K.; Fink, G.; Jensen, V. R.; Kleinschmidt, R. Macromol. Rapid Commun. 2000, 21, 91-97.

(17)   Activity of homogeneous chromium(III)-based alkene polymerization catalysts: Lack of importance of the barrier to ethylene insertion.
Jensen, V. R.; Angermund, K.; Jolly, P. W.; Børve, K. J. Organometallics 2000, 19, 403-410.

(18)   Toward quantitative prediction of stereospecificity of metallocene-based catalysts for alpha-olefin polymerization.
Angermund, K.; Fink, G.; Jensen, V. R.; Kleinschmidt, R. Chem. Rev. 2000, 100, 1457-1470.

(19)   Theoretical Investigation of Bis(imido)chromium(VI) Cations as Polymerization Catalysts.
Jensen, V. R.; Børve, K. J. Organometallics 2001, 20, 616-626.

(20)   Donor-ligand-substituted cyclopentadienylchromium(III) complexes: A new class of alkene polymerization catalyst. 2. Phosphinoalkyl-substituted systems.
Döhring, A.; Jensen, V. R.; Jolly, P. W.; Thiel, W.; Weber, J. C. Organometallics 2001, 20, 2234-2245.

(21)   Computational Investigation of Ethylene Insertion into the Metal-Methyl bond of First-Row Transition Metal(III) Species.
Jensen, V. R.; Thiel, W. Organometallics 2001, 20, 4852-4862.

(22)   Steric Control of the Chromium-Catalyzed Oligomerization of Ethylene.
Döhring, A.; Jensen, V. R.; Jolly, P. W.; Thiel, W.; Weber, J. C. Macromol. Symp. 2001, 173, 117-121.

(23)   Reduction of chromium in ethylene polymerisation using bis(imido)chromium(VI) catalyst precursors.
Jensen, V. R.; Børve, K. J. Chem. Commun. 2002, 542-543.

(24)   Theoretical investigation of the low-energy states of CpMoCl(PMe3)2 and their role in the spin-forbidden addition of N2 and CO.
Jensen, V. R.; Poli, R. J. Phys. Chem. A 2003, 107, 1424-1432.

(25)   Ethene copolymerization with trialkylsilyl protected polar norbornene derivates.
Wendt, R. A.; Angermund, K.; Jensen, V.; Thiel, W.; Fink, G. Macromol. Chem. Phys. 2004, 205, 308-318.

(26)   A novel efficient deoxygenation process for N-heteroarene N-oxides.
Bjørsvik, H. R.; Gambarotti, C.; Jensen, V. R.; Gonzalez, R. R. J. Org.
Chem. 2005, 70, 3218-3224.

(27)   The reaction mechanism of phenylalanine hydroxylase. A question of coordination.
Teigen, K.; Jensen, V. R.; Martinez, A. Pteridines 2005, 16, 27-34.

(28)   Unusual temperature effects in propene polymerization using stereorigid zirconocene catalysts.
Jensen, V. R.; Graf, M.; Thiel, W. Chemphyschem 2005, 6, 1929-1933.

(29)   Synthesis of methoxy-substituted phenols by peracid oxidation of the aromatic ring.
Bjørsvik, H. R.; Occhipinti, G.; Gambarotti, C.; Cerasino, L.; Jensen, V. R. J. Org. Chem. 2005, 70, 7290-7296.

(30)   DFT Investigation of the Single-Center, Two-State Model for the Broken Rate Order of Transition Metal Catalyzed Olefin Polymerization.
Jensen, V. R.; Koley, D.; Jagadeesh, M. N.; Thiel, W. Macromolecules 2005, 38, 10266-10278.

(31)   Catalytic Dehydrogenation of Ethane over Mononuclear Cr(III)/Silica Surface Sites. Part II. C-H Activation by Oxidative Addition.
Lillehaug, S.; Jensen, V. R.; Børve, K. J. J. Phys. Org. Chem. 2006, 19, 25-33.

(32)   Quantitative Structure—Activity Relationships of Ruthenium Catalysts for Olefin Metathesis.
Occhipinti, G.; Bjørsvik, H. R.; Jensen, V. R. J. Am. Chem. Soc. 2006, 128, 6952-6964.

(33)   Structure and stability of substitutional metallofullerenes of the first-row transition metals.
Sparta, M.; Jensen, V. R.; Børve, K. J. Fullerenes Nanotubes and Carbon Nanostructures 2006, 14, 269-278.

(34)   Multiple additions of palladium to C60.
Loboda, O.; Jensen, V. R.; Børve, K. J. Fullerenes Nanotubes and Carbon Nanostructures 2006, 14, 365-371.

(35)   Site Epimerization in ansa-Zirconocene Polymerization Catalysts.
Graf, M.; Angermund, K.; Fink, G.; Thiel, W.; Jensen, V. R. J. Organomet. Chem. 2006, 691, 4367-4378.

(36)   Structure and Stability of Networked Metallofullerenes of the Transition Metals.
Sparta, M.; Børve, K. J.; Jensen, V. R. J. Phys. Chem. A 2006, 110, 11711-11716.

(37)   Green and Efficient Synthesis of Bidentate Schiff Base Ru-Catalysts for Olefin Metathesis.
Occhipinti, G.; Jensen, V. R.; Bjørsvik, H. R. J. Org. Chem. 2007, 73, 3561-3564.

(38)   Activity of Rhodium-Catalyzed Hydroformylation: Added Insight and Predictions from Theory.
Sparta, M.; Børve, K. J.; Jensen, V. R. J. Am. Chem. Soc. 2007, 129, 8487-8499.

(39)   The first imidazolium-substituted metal alkylidene.
Occhipinti, G.; Bjørsvik, H. R.; Törnroos, K. W.; Fürstner, A.; Jensen, V. R. Organometallics 2007, 26, 4383-4385.

(40)   Ruthenium Alkylidene Complexes of Chelating Amine Ligands.
Occhipinti, G.; Bjørsvik, H. R.; Törnroos, K. W.; Jensen, V. R. Organometallics 2007, 26, 5803-5814.

(41)   Synthesis of a new bidentate NHC-Ag(I) complex and its unanticipated reaction with the Hoveyda-Grubbs first generation catalyst.
Occhipinti, G.; Jensen, V. R.; Törnroos, K. W.; Frøystein, N. A.; Bjørsvik, H. R. Tetrahedron 2009, 65, 7186-7194.

(42)   Metal-Phosphine Bond Strengths of the Transition Metals: A Challenge for DFT.
Minenkov, Y.; Occhipinti, G.; Jensen, V. R. J. Phys. Chem. A 2009, 113, 11833-11844.

(43)   Water Dissociation and Dioxygen Binding in Phenylalanine Hydroxylase.
Olsson, E.; Martinez, A.; Teigen, K.; Jensen, V. R. Eur. J. Inorg.
Chem. 2010, 351-356.

(44)   On the nature of the active site in ruthenium olefin coordination-insertion polymerization catalysts.
Heyndrickx, W.; Occhipinti, G.; Minenkov, Y.; Jensen, V. R. J. Mol. Catal. A-Chem. 2010, 324, 64-74.

(45)   The Aromatic Amino Acid Hydroxylase Mechanism: A Perspective from Computational Chemistry.
Olsson, E.; Teigen, K.; Martinez, A.; Jensen, V. R.
In Advances in Inorganic Chemistry: Theoretical and Computational Inorganic Chemistry, Vol 62, 2010; Vol. 62, pp 437-500.

(46)   Formation of the Iron–Oxo Hydroxylating Species in the Catalytic Cycle of Aromatic Amino Acid Hydroxylases.
Olsson, E.; Martinez, A.; Teigen, K.; Jensen, V. R. Chem. Eur. J. 2011, 17, 3746-3758.

(47)   Influence of multidentate N-donor ligands on highly electrophilic zinc initiator for the ring-opening polymerization of epoxides.
Merle, N.; Törnroos, K. W.; Jensen, V. R.; Le Roux, E. J. Organomet. Chem. 2011, 696, 1691-1697.

(48)   Substrate Hydroxylation by the Iron–Oxo Intermediate in Aromatic Amino Acid Hydroxylases: A DFT Mechanistic Study.
Olsson, E.; Martinez, A.; Teigen, K.; Jensen, V. R. Eur. J. Inorg.
Chem. 2011, 2720-2732.

(49)   Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates.
Occhipinti, G.; Meerman, C.; Dietrich, H. M.; Litlabø, R.; Auras, F.; Törnroos, K. W.; Maichle-Mössmer, C.; Jensen, V. R.; Anwander, R. J. Am. Chem. Soc. 2011133, 6323-6337.

(50)   Nature of the Transition Metal–Carbene Bond in Grubbs Olefin Metathesis Catalysts.
Occhipinti, G.; Jensen, V. R. Organometallics 201130, 3522-3529.

(51)   Neutral Nickel Oligo- and Polymerization Catalysts: The Importance of Alkyl Phosphine Intermediates in Chain Termination.
Heyndrickx, W.; Occhipinti, G.; Minenkov, Y; Jensen, V. R. Chem. Eur. J. 201117, 14628-14642.

(52)   The Nature of the Barrier to Phosphane Dissociation from Grubbs Olefin Metathesis Catalysts.
Minenkov, Y.; Occhipinti, G.; Heyndrickx, W.; Jensen, V. R. Eur. J. Inorg. Chem. 201217, 1507–1516.

(53)   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.
Minenkov, Y.; Singstad, Å; Occhipinti, G.; Jensen, V. R. Dalton Trans. 2012,  41, 5526–5541.

(54)   An Evolutionary Algorithm for de Novo Optimization of Functional Transition Metal Compounds.
Chu
, Y.; Heyndrickx, W.; Occhipinti, G.; Jensen, V. R.; Alsberg, B. K. J. Am. Chem. Soc. 2012, 134, 8885–8895.

(55)   Striking a Compromise: Polar Functional Group Tolerance versus Insertion Barrier Height for Olefin Polymerization Catalysts.
Heyndrickx, W.; Occhipinti, G.; Bultinck, P; Jensen, V. R. Organometallics 2012, 31, 6022–6031.

(56)   Simple and Highly Z-Selective Ruthenium-Based Olefin Metathesis Catalyst.
Occhipinti, G.; Hansen, F. R.; Törnroos, K. W.; Jensen, V. R. J. Am. Chem. Soc. 2013, 135, 3331–3334.

(57)   The Complete Reaction Pathway of Ruthenium-Catalyzed Olefin Metathesis of Ethyl Vinyl Ether: Kinetics and Mechanistic Insight from DFT.
Minenkov, Y.; Occhipinti, G.; Jensen, V. R. Organometallics 2013, 32, 2099–2111.

(58)   Accurate Metal–Ligand Bond Energies in the η²-C2H4 and η²-C60 Complexes of Pt(PH3)2, with application to their bis(triphenylphosphine) analogues.
Sparta, M.; Jensen, V. R.; Børve, K. J. Mol. Phys. 2013, 111, 1599–1611.

(59)   Automated design of realistic organometallic molecules from fragments.
Foscato, M.; Occhipinti, G.; Venkatraman, V.; Alsberg, B.; Jensen, V. R. J. Chem. Inf. Model. 2014, 54, 767–780.

(60)   Neutral Nickel Ethylene Oligo- and Polymerization Catalysts: Towards Computational Catalyst Prediction and Design.
Heyndrickx, W.; Occhipinti, G.; Jensen, V. R. Chem. Eur. J. 2014, 20, 7962–7978.

(61)   Theory-Assisted Development of a Robust and Z-Selective Olefin Metathesis Catalyst.
Occhipinti,G.; Koudriavtsev, V; Törnroos, K. W.; Jensen, V. R. Dalton Trans. 2014, 43, 11106–11117.

(62)   Automated Building of Organometallic Complexes from 3D Fragments.
Foscato, M.; Venkatraman, V.; Occhipinti, G.; Alsberg, B.; Jensen, V. R. J. Chem. Inf. Model. 2014, 54, 1919–1931.

(63)   Evolutionary de novo design of phenothiazine derivatives for dye-sensitized solar cells.
Venkatraman, V.; Foscato, M.; Jensen, V. R.; Alsberg, B. K. J. Mater. Chem. A. 2015, 3, 9851.

(64)   Integration of Ligand Field Molecular Mechanics in Tinker.
Foscato, M.; Deeth, R. J.; Jensen, V. R. J. Chem. Inf. Model. 2015, 55, 12826–1290.

(65)   Ring Closure to Form Metal Chelates in 3D Fragment-Based de Novo Design.
Foscato, M.; Houghton, B. J.; Occhipinti, G.; Deeth, R. J.; Jensen, V. R. J. Chem. Inf. Model. 2015, 55, 1844–1856.

(66)   Computer-aided molecular design of imidazole-based absorbents for CO2 capture
Venkatraman, V.; Gupta, M.; Foscato, M.; Svendsen, H. F.; Jensen, V. R.; Alsberg, B. K. Int. J. Greenh. Gas Control 2016, 49, 55–63.

(67)   Phosphine-Based ZSelective Ruthenium Olefin Metathesis Catalysts.
Smit, W.; Koudriavtsev, V; Occhipinti, G.; Törnroos, K. W.; Jensen, V. R. Organometallics 2016, 35, 1825–1837.

(68)   Sterically (un)encumbered mer-tridentate N-heterocyclic carbene complexes of titanium(IV) for the copolymerization of cyclohexene oxide with CO2.
Hessevik, J.; Lalrempuia, R.; Nsiri, H.; Törnroos, K. W.; Jensen, V. R.; Le Roux, E Dalton Trans. 2016, 45, 14734–14744 .

(69)   Palladium Precatalysts for Decarbonylative Dehydration of Fatty Acids to Linear Alpha Olefins.
Chatterjee, A.; Eliasson, S. H. H.; Törnroos, K. W.; Jensen, V. R., ACS Catalysis 2016, 6, 77847789.

(70)   A Heterogeneous Catalyst for the Transformation of Fatty Acids to αOlefins.
Chatterjee, A.; Jensen, V. R., ACS Catalysis 2017, 7, 77847789.

 

Patents and patent applications

(71)   Novel Olefin Metathesis Catalysts.
Jensen, V. R.; Occhipinti, G.; Hansen, F. R. Int. Patent Appl. WO 2012/032131, 2012.

(72)   Ruthenium and Osmium Heterocyclic Carbene Metathesis Catalysts.
Jensen, V. R.; Occhipinti, G. Eur. Patent Appl. EP 2826783 A1, 2013.

(73)   Improved Olefin Metathesis Catalysts.
Jensen, V. R.; Occhipinti, G. Eur. Patent Appl. EP 15176276, 2015.

 

Printed conference contributions

(74)   Benchmarking GAMESS on the Intel Paragon XP/S.
Børve, K. J.; Herland, B. G.; Jensen, V. R.; Sørevik, T. In Proceedings of Intel Supercomputing User Group Meeting; MacKeeman, A., Ed.: Manchester, 1994.

(75)   New Experimental and Theoretical Results and Their Relevance to the Structure of the Active Centre in MgCl2 Supported Ziegler- Natta Catalysts.
Ystenes, M.; Bache, Ø.; Jensen, V. R.; Wester, T. S. In Proc. of the International Harald A. Øye Symposium; Sørlie, M., Østvold, T., Huglen, R., Eds.; The Norwegian Institute of Technology: Trondheim, Norway
, 1995, p 435.

(76)   Phosphinoalkyl-Substituted Cyclopentadienyl Chromium Catalysts for the Oligomerization of Ethylene.
Döhring, A.; Jensen, V. R.; Jolly, P. W.; Thiel, W.; Weber, J. C. In Organometallic Catalysts and Olefin Polymerization; Blom, R., Follestad, A., Rytter, E., Tilset, M., Ystenes, M., Eds.; Springer-Verlag: Oslo, Norway, 2000, pp 127-136.

(77)   Metallocene/MAO Catalyzed Polymerizations of Functionalized Norbornene Derivatives: Copolymerizations Using Ethene, and Terpolymerizations Using Ethene and Norbornene.
Fink, G.; Wendt, R. A.; Angermund, K.; Jensen, V. R.; Thiel, W. Polymeric Materials: Science and Engineering 2001, 84, 255-256.

 

Book chapters

(78)   Polyolefins: Design of Stereoselective Metallocene Catalysts.
Angermund, K.; Fink, G.; Jensen, V. R.; Kleinschmidt, R. In Encyclopedia of Materials: Science and Technology; Buschow, K. J. H., Cahn, R. W., Flemings, M. C., Ilschner, B., Kramer, E. J., Mahajan, S., Eds.; Elsevier: Oxford, 2001.

 

Popular scientific

(79)   Molekylmodellering av reaksjoner katalysert av metallkomplekser.
Børve, K. J.; Espelid, Ø.; Jensen, V. R.; Støvneng, J. A.; Swang, O. Kjemi 1998, 10, 22.

(80)   QUASI katalytisch.
Jensen, V. R.; Bühl, M. Nachrichten aus der Chemie 2001, 49, 25-27.

(81)   Modeling of Chemical Reactions and Catalysis.
Jensen, V. R. Meta, 2011, No. 3, 19-21.

 

Theses

(82)   Quantum Chemical Modeling of Ziegler-Natta Catalysts.
Jensen, V. R.; The Norwegian Institute of Technology, NTH: N-7034 Trondheim, Norway
, 1995.