Hjem
Knut Børves bilde

Knut Børve

Instituttleder, Instituttleiar
  • E-postKnut.Borve@uib.no
  • Telefon+47 55 58 33 65+47 476 27 005
  • Besøksadresse
    Realfagbygget, Allégt. 41
    Rom 
    2039 og 3015
  • Postadresse
    Postboks 7803
    5020 BERGEN

Emneundervisning:

NANO100 Perspektiv i nanovitskap og -teknologi. (Vår, 10 stp)

NANO300 Seminar i nanovitskap. (Haust, 5 stp)

KJEM221 Grunnleggjande kvantemekanikk (Haust, 10 stp)

KJEM323 Utvalde emne i mangeelektronteori (uregelmessig, 5 stp)

KJEM324 Utvalde emne i teoretiske kjemi (uregelmessig, 5 stp)

 

Masteroppgåver blir gitt innan følgjande forskningsområde:

 

Nanodråpar: Ved hjelp av eksperiment og molekylmodellering undersøke korleis frie nøytrale nanodråpar av ulike molekyl blir danna og kva struktur, stabilitet og eigenskaper som dei har.

Teoretisk spektroskopi: Utvikle den teoretisk skildringa av høg-oppløyste fotoelektroneksperiment, med sikte på å hente ut mest mogeleg informasjon frå eksperimentelle studiar som nyttar denne teknikken.

Konformasjonsstudium av molekyl: Å undersøke konformasjonsjamvekter for molekyl i gassfase, ved å kombinere eksperiment (fotoelektronspektroskop) og avansert teoretisk modellering.

 

 Døme på tidlegare masteroppgåver:

 

  • Fotoelektronspektroskopi og kjemiske eigenskapar av substituerte propenar.
  • Polarisasjonsenergien ved ionisering av eit argonatom på overflata av ein argonklase
  • Aktiveringsenergiar, protonaffinitetar og ionisasjonsenergiar for klorsubstituerte etenar
  • Linjeformer i fotoelektronspektra av edelgassklasar

 

 

Vitenskapelig artikkel
  • Vis forfatter(e) 2019. Energy-dependent relative cross sections in carbon 1s photoionization: Separation of direct shake and inelastic scattering effects in single molecules. Journal of Physical Chemistry A. 7619-7636.
  • Vis forfatter(e) 2018. Carbocation stability as predictor for electrophilic addition of HCl to chlorinated ethenes and propenes in the gas phase. Journal of Physical Organic Chemistry. 1-11.
  • Vis forfatter(e) 2018. Attenuation of slow (10-40 eV) electrons in soft nanoparticles: Size matters in argon clusters. Physical review. E. 10 sider.
  • Vis forfatter(e) 2017. Changing role of carrier gas in formation of ethanol clusters by adiabatic expansion. Journal of Chemical Physics. 9 sider.
  • Vis forfatter(e) 2015. Formation and growth of clusters of sulfur dioxide. Aerosol Science and Technology. 451-462.
  • Vis forfatter(e) 2015. Electronic properties of chlorine, methyl, and chloromethyl as substituents to the ethylene group-viewed from the core of carbon. Journal of Physical Chemistry A. 9481-9493.
  • Vis forfatter(e) 2014. X-ray induced fragmentation of size-selected salt cluster-ions stored in an ion trap. RSC Advances. 47743-47751.
  • Vis forfatter(e) 2014. HCl dissociation in methanol clusters from Ab initio molecular dynamics simulations and inner-shell photoelectron spectroscopy. Journal of Physical Chemistry A. 6900-6907.
  • Vis forfatter(e) 2014. Electron attenuation in free, neutral ethane clusters. Journal of Chemical Physics.
  • Vis forfatter(e) 2013. Structure of self-assembled free methanol/tetrachloromethane clusters. Journal of Physical Chemistry A. 13127-13137.
  • Vis forfatter(e) 2013. On the relation between X-ray Photoelectron Spectroscopy and XAFS. Journal of Physics: Conference Series (JPCS). 1-12.
  • Vis forfatter(e) 2013. Laboratory-frame electron angular distributions: Probing the chemical environment through intramolecular electron scattering. Physical Review A. Atomic, Molecular, and Optical Physics (PRA). 7 sider.
  • Vis forfatter(e) 2013. Intensity oscillations in the carbon 1s ionization cross sections of 2-butyne. Journal of Chemical Physics.
  • Vis forfatter(e) 2013. Effective attenuation length from core-level photoelectron spectroscopy of CS2 clusters. Journal of Physics B: Atomic, Molecular and Optical Physics. 7 sider.
  • Vis forfatter(e) 2013. Conformations and CH/π Interactions in Aliphatic Alkynes and Alkenes. Journal of Physical Chemistry A. 2007-2019.
  • 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. Valence photoionization and photoelectron-photoion coincidence (PEPICO) study of molecular LiCl and Li2Cl2. Journal of Electron Spectroscopy and Related Phenomena. 285-293.
  • Vis forfatter(e) 2012. The ESCA molecule-Historical remarks and new results. Journal of Electron Spectroscopy and Related Phenomena. 191-197.
  • Vis forfatter(e) 2012. Nonstoichiometric Intensities in Core Photoelectron Spectroscopy. Physical Review Letters. 4 sider.
  • Vis forfatter(e) 2012. Chemical reactivity of alkenes and alkynes as seen from activation energies, enthalpies of protonation, and carbon 1s ionization energies. Journal of Organic Chemistry. 10105-10117.
  • Vis forfatter(e) 2012. Carbon 1s photoelectron spectroscopy of the chlorinated methanes: Lifetimes and accurate vibrational lineshape models. Journal of Electron Spectroscopy and Related Phenomena. 226-233.
  • Vis forfatter(e) 2011. The structure of mixed methanol/chloroform clusters from core-level photoelectron spectroscopy and modeling. New Journal of Chemistry. 2564-2572.
  • Vis forfatter(e) 2011. The size of free neutral CO2 clusters from carbon 1s ionization energies. Journal of Physical Chemistry A. 10408-10415.
  • Vis forfatter(e) 2011. Structure of Neutral Nanosized Clusters Produced by Coexpansion of CF4 and CH4. Journal of Physical Chemistry A. 13259-13268.
  • Vis forfatter(e) 2011. On the Origins of Core-Electron Chemical Shifts of Small Biomolecules in Aqueous Solution: Insights from Photoemission and ab Initio Calculations of Glycine(aq). Journal of the American Chemical Society. 3120-3130.
  • Vis forfatter(e) 2011. Chemical shifts of carbon 1s ionization energies. Journal of Electron Spectroscopy and Related Phenomena. 2-9.
  • Vis forfatter(e) 2011. Accuracy of Calculated Chemical Shifts in Carbon 1s Ionization Energies from Single-Reference ab Initio Methods and Density Functional Theory. Journal of Chemical Theory and Computation. 4104-4114.
  • Vis forfatter(e) 2010. Selective vibrational excitation in the resonant Auger decay following core-to-pi transitions in N2O. Journal of Electron Spectroscopy and Related Phenomena. 129-134.
  • Vis forfatter(e) 2010. Molecular Spectra As a Tool in Assigning Carbon 1s Photoelectron Spectra of Physisorbed Overlayers. Journal of Physical Chemistry C. 15383-15393.
  • Vis forfatter(e) 2009. The local structure of small water clusters: imprints on the core-level photoelectron spectrum. Journal of Physics B: Atomic, Molecular and Optical Physics. 055201.
  • Vis forfatter(e) 2009. Carbon 1s photoelectron spectroscopy of 1-pentyne conformers. Journal of Molecular Structure. 387-392.
  • Vis forfatter(e) 2009. Additivity of Substituent Effects. Core-Ionization Energies and Substituent Effects in Fluoromethylbenzenes. Journal of Physical Chemistry A. 3481-3490.
  • Vis forfatter(e) 2008. The O 1s photoelectron spectrum of molecular oxygen revisited. Journal of Physics B: Atomic, Molecular and Optical Physics. 7 sider.
  • Vis forfatter(e) 2008. Surface relaxation in water clusters: Evidence from theoretical analysis of the oxygen 1s photoelectron spectrum. Journal of Chemical Physics. 6 sider.
  • Vis forfatter(e) 2008. Neutral CH3Cl and CH3Br clusters studied by x-ray photoelectron spectroscopy and modeling: Insight to intermolecular interactions and structure. Journal of Electron Spectroscopy and Related Phenomena. 53-64.
  • Vis forfatter(e) 2007. What can c1s photoelectron Spectroscopy tell about structure and bonding in clusters of methanol and methyl chloride? Journal of Physical Chemistry A. 8903-8909.
  • Vis forfatter(e) 2007. The substituent effect of the methyl group. Carbon 1s ionization energies, proton affinities, and reactivities of the methylbenzenes. Journal of Organic Chemistry. 5715-5723.
  • Vis forfatter(e) 2007. Effects of molecular conformation on inner-shell ionization energies. Physical Chemistry, Chemical Physics - PCCP. 719-724.
  • Vis forfatter(e) 2007. Chemisorption of 1,1-dichloroethene on the Si(111)-7x7 surface. Surface Science. 5510-5514.
  • Vis forfatter(e) 2006. Two size regimes of methanol clusters produced by adiabatic expansion. Journal of Chemical Physics. 184303.
  • 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. Size of neutral argon clusters from core-level photoelectron spectroscopy. Physical Chemistry, Chemical Physics - PCCP. 1891-1898.
  • Vis forfatter(e) 2006. Multiple additions of palladium to C-60. Fullerenes, nanotubes, and carbon nanostructures. 365-371.
  • Vis forfatter(e) 2006. Lineshapes in carbon 1s photoelectron spectra of methanol clusters. Physical Chemistry, Chemical Physics - PCCP. 2473-2482.
  • Vis forfatter(e) 2006. Franck-Condon transitions in a system with large-amplitude anharmonic vibrations coupled to a harmonic-oscillator bath: Application to the C 1s photoelectron spectrum of ethanol. Physical Review A. Atomic, Molecular, and Optical Physics (PRA). 042508.
  • Vis forfatter(e) 2006. Fluorine as a pi donor. Carbon 1s photoelectron spectroscopy and proton affinities of fluorobenzenes. Journal of Organic Chemistry. 1961-1968.
  • Vis forfatter(e) 2006. First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters. Chemical Physics Letters. 109-113.
  • 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. Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene. Journal of Physical Chemistry A.
  • Vis forfatter(e) 2005. Conformational effects in inner-shell photoelectron spectroscopy of ethanol. Physical Review Letters. 4 sider.
  • Vis forfatter(e) 2004. Catalytic Dehydrogenation of Ethane over Mononuclear Cr(III) Surface Sites on Silica. Part I. C�H activation by σ-bond metathesis. Journal of Physical Organic Chemistry. 990-1006.
  • Vis forfatter(e) 2004. Carbon 1s photoelectron spectroscopy of six-carbon cyclic hydrocarbons. Physical Chemistry, Chemical Physics - PCCP. 4254-4259.
  • Vis forfatter(e) 2004. Carbon 1s photoelectron spectroscopy of halomethanes. Effects of electronegativity, hardness, charge distribution, and relaxation. Journal of Physical Chemistry A. 4983-4990.
  • Vis forfatter(e) 2003. Conductivity studies in Benzotrifluoride. Journal of Molecular Liquids. 221-233.
  • Vis forfatter(e) 2002. Vibrationally Resolved Photoelectron Spectra of the Carbon 1s and Nitrogen 1s Shells in Hydrogen Cyanide. Chemical Physics. 83-90.
  • Vis forfatter(e) 2002. Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of benzene and deuterobenzene. Physical Chemistry, Chemical Physics - PCCP. 5937-5943.
  • Vis forfatter(e) 2002. Toward the spectrum of free polyethylene: Linear alkanes studied by carbon 1s photoelectron spectroscopy and theory. Journal of the American Chemical Society. 7866-7873.
  • Vis forfatter(e) 2002. Theoretical Analysis of CO Adsorption on the Reduced Cr/Silica System. Journal of Catalysis. 177-190.
  • 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) 2002. Molecular-level insight into Cr/Silica Phillips-type catalysts. Polymerization-active dinuclear chromium sites. Journal of Catalysis. 331-338.
  • Vis forfatter(e) 2002. Molecular-Level Insight into Cr/Silica Phillips’ type Catalysts. Polymerization-Active Mononuclear Chromium Sites. Journal of Catalysis. 366-374.
  • Vis forfatter(e) 2002. High Resolution C1s and S2p Photoelectron Spectra of Thiophene. Journal of Chemical Physics. 7587-7592.
  • Vis forfatter(e) 2002. Carbon 1s photoelectron spectroscopy of CF4 and CO. Search for chemical effects on the carbon 1s hole-state lifetime. Journal of Chemical Physics. 10221-10228.
  • Vis forfatter(e) 2001. Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of ethane and deuteroethane. Journal of Physical Chemistry A. 7700-7706.
  • Vis forfatter(e) 2001. Theoretical Analysis of d-d Spectra of the Reduced Cr/Silica System. Catalysis Letters. 49-56.
  • Vis forfatter(e) 2001. Second-Order Møller-Plesset Perturbation Theory for Computing Molecular-Field Splitting. Application to the S2p3/2 Level in C2H2n+1SF5, n=0,1, and 2. Chemical Physics. 55-65.
  • Vis forfatter(e) 2001. Chemical Insights from High-Resolution Photoelectron Spectroscopy and ab initio Theory: Propyne, Trifluoropropyne and Ethynylsulfur pentafluoride. Journal of the American Chemical Society. 10729-10737.
  • Vis forfatter(e) 2001. A theoretical investigation of bis(imido)chromium(VI) cations as polymerization catalysts. Organometallics. 616-626.
  • Vis forfatter(e) 2000. Vibronic Coupling in the Carbon 1s Photoelectron spectrum of HCCH and DCCD. Physical Review A. Atomic, Molecular, and Optical Physics (PRA). 012506-1-012506-14.
  • Vis forfatter(e) 2000. Thiophene Photoelectron Spectra in the Gas Phase. MAX-lab Activity Report. 172-173.
  • Vis forfatter(e) 2000. Theoretical Models of Ethylene Polymerization over a Mononuclear Chromium(II)/Silica Site. Journal of Catalysis. 125-139.
  • Vis forfatter(e) 2000. Evidence of Fermi Resonance in Core-ionized Methane. Journal of Chemical Physics. 7986-7991.
  • Vis forfatter(e) 2000. Calculation of Initial-State Effects on Inner-Shell Ionization Energies. Journal of Electron Spectroscopy and Related Phenomena. 155-161.
  • 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) 2000. Accurate and Approximate Calculations of Franck-Condon Intensities in the Carbon 1s Photoelectron Spectrum of Methane. Journal of Chemical Physics. 7979-7985.
  • Vis forfatter(e) 2000. 2,2'-Selenobis(acetic acid), Se(CH2C(o)OH)2: an old compound with a novel structure. Journal of Molecular Structure. 149-161.
  • Vis forfatter(e) 1999. Molecular-field splitting of the 2p3/2 level in second-row atoms- a theoretical study of phosphine and phosphorus trifluoride. Journal of Chemical Physics. 4478-4486.
  • Vis forfatter(e) 1999. Molecular-field splitting in Scl2 and S(CH3)2. Chemical Physics Letters. 439-444.
  • Vis forfatter(e) 1999. Molecular-field splitting and vibrational structure in the phosphorus 2p photoelectron spectrum of PF3. Journal of Chemical Physics. 4472-4477.
  • Vis forfatter(e) 1999. Molecular adsorption of methane and methyl onto MgO(100). An embedded-cluster study. Surface Science. 296-307.
  • 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) 1997. Accurate enthalpies of formation for CrX, X=O, OH, F.A computational study. Journal of Physical Chemistry A. 9449-9456.
  • Vis forfatter(e) 1996. Self-association of medium chain alcohols in <EM>n</EM>-decane solutions. Journal of Applied Spectroscopy. 1264-1272.
  • Vis forfatter(e) 1996. On the calculation of molecular field splitting in S2p photoelectron spectra. Chemical Physics Letters. 801-806.
  • Vis forfatter(e) 1996. On the calculation of molecular field splitting in S2p photoelectron spectra. Chemical Physics Letters. 801-806.
  • Vis forfatter(e) 1996. High resolution photoelectron spectroscopy of sulfur 2p electrons in H<SUB>2</SUB>S, SO<SUB>2</SUB>, CS<SUB>2</SUB> and OCS. Journal of Chemical Physics. 9035-9039.
  • 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) 1996. Adsorption of sodium sulfate and butanol onto acidic and basic alumina. Journal of Colloid and Interface Science. 348-355.
  • Vis forfatter(e) 1996. Adsorption of Sodium Dodecyl Sulfate and Butanol onto Acidic and Basic Alumina. Journal of Colloid and Interface Science. 348-355.
  • Vis forfatter(e) 1994. Adsorption of Short Chain Alcohols from Decane Solutions onto Kaolinite. Journal of Colloid and Interface Science. 261-269.
  • Vis forfatter(e) 1993. On the cluster dependence of electron capture cross sections in ion-cluster collisions. Z. Phys. D.. 247-252.
  • Vis forfatter(e) 1993. Moderne Instrumentering i Overflate og Kolloidkjemi. I. Langmuir och Langmuir Blodgett Filmer. Kjemi. 6-9.
  • Vis forfatter(e) 1993. Electron capture from the light noble gases. Journal of Physics B: Atomic, Molecular and Optical Physics. 677-683.
  • Vis forfatter(e) 1992. Stabilization and Destabilization of Water-in-crude Oil Emulsions from the Norwegian Continental Shelf. Correlation with Model Systems. Advances in Colloid and Interface Science. 241-271.
Vitenskapelig foredrag
  • Vis forfatter(e) 2015. The structure of mixed molecular clusters from photoelectron spectroscopy and computational modeling.
  • Vis forfatter(e) 2014. CHEMICAL STRUCTURE FROM PHOTOELECTRON SPECTROSCOPY.
  • Vis forfatter(e) 2013. Modeling of chemical effects in x-ray photoelectron spectroscopy.
  • Vis forfatter(e) 2013. Insight to the structure of mixed clusters from core-level photoelectron spectroscopy and modeling.
  • Vis forfatter(e) 2012. What is water? An answer from a chemist.
  • Vis forfatter(e) 2012. Insight to hydrogen bonding from X-ray photoelectron spectroscopy and modeling.
  • Vis forfatter(e) 2012. Accurate Carbon 1s Hole-state Lifetimes for Chlorinated Methanes.
  • Vis forfatter(e) 2011. Theoretical modeling of neutral weakly bound nanoparticles and their core-level spectra.
  • Vis forfatter(e) 2010. The nature of the barrier to phosphine dissociation from Grubbs olefin metathesis catalysts.
  • Vis forfatter(e) 2009. Neutral Binary Cluster of CF4/CH4 Studied by X-ray Photoelectron Spectroscopy.
  • Vis forfatter(e) 2009. Accurate Calculation of Chemical Shifts in Carbon 1s Ionization Energies.
  • Vis forfatter(e) 2008. Theoretical and electron-spectroscopy studies of molecular clusters.
  • Vis forfatter(e) 2008. Neutral Binary Clusters of CF4/CH4 Studied by X-ray Photoelectron Spectroscopy.
  • Vis forfatter(e) 2008. Learning about Neutral Free CS2 Clusters.
  • Vis forfatter(e) 2008. Free one- and two-component molecular clusters.
  • Vis forfatter(e) 2008. Carbon 1s Photoelectron Spectroscopy of Conformational Isomers.
  • Vis forfatter(e) 2008. Accurate calculation of C1s ionization energy shifts and vibrational structures.
  • Vis forfatter(e) 2007. Studies of molecular clusters.
  • Vis forfatter(e) 2007. Structure of molecular nanodroplets.
  • Vis forfatter(e) 2007. Single-component CH3Br and CH3Cl clusters: Intermolecular interactions and structure studied by photoelectron spectroscopy and modeling.
  • Vis forfatter(e) 2007. Photoelectron spectroscopy and molecular modeling - an old couple revitalized.
  • Vis forfatter(e) 2007. Metal-ligand bond energies in eta-2-bonded metallofullerenes and metalloethylenes.
  • Vis forfatter(e) 2007. Insight to the structure of molecular clusters from XPS and theoretical modeling.
  • Vis forfatter(e) 2007. Conformational Isomers of 1-Pentyne from Carbon 1s Photoelectron Spectroscopy.
  • Vis forfatter(e) 2007. Chemistry of Isolated and Aggregated Molecules - Present and Future Perspectives.
  • 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. The substituent effect of the methyl group in benzenes.
  • Vis forfatter(e) 2006. The substituent effect of the methyl group.
  • Vis forfatter(e) 2006. Substitutional Metallofullerenes of the d-Block Metals.
  • Vis forfatter(e) 2006. Structural and mechanistic insight by way of theory: Catalytic properties of chromium on amorphous silica.
  • Vis forfatter(e) 2006. Exploring molecular clusters by means of theory-assisted electron spectroscopy.
  • Vis forfatter(e) 2006. Evidence of hydrogen bonding in inner-shell photoelectron spectra of methanol clusters.
  • Vis forfatter(e) 2006. Evidence of H-Bonding in Inner-shell Photoelectron Spectra of Methanol Clusters.
  • Vis forfatter(e) 2006. Carbon 1s ionization energies and proton affinities of six-membered cyclic hydrocarbons.
  • Vis forfatter(e) 2006. Adsorption of 1,1-dichloroethene on the Si(111)-7x7 surface.
  • Vis forfatter(e) 2005. XPS lineshape modeling of free neutral clusters.
  • Vis forfatter(e) 2005. XPS lineshape modeling for size determination of free neutral clusters.
  • Vis forfatter(e) 2005. Theoretical modeling of x-ray photoelectron spectroscopy.
  • Vis forfatter(e) 2005. Structure of liquid methanol - with implications for the C1s photoelectron spectrum.
  • Vis forfatter(e) 2005. Structure of Liquid Methanol – with Implications for the C1s Photoelectron Spectrum.
  • Vis forfatter(e) 2005. Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene.
  • Vis forfatter(e) 2005. Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene.
  • 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) 2005. A Theoretical Study of the Dehydrogenation of Ethane over Cr/oxide Catalysts.
  • Vis forfatter(e) 2004. Toward theoretical lineshape models of atomic and molecular clusters.
  • Vis forfatter(e) 2004. Theoretical tools for interpreting high-resolution inner-shell electron spectroscopy.
  • Vis forfatter(e) 2004. Presentasjon av katalyse- og elektronspektroskopigruppa i Bergen.
  • Vis forfatter(e) 2004. Exploring the properties of chromium on amorphous silica by means of theory.
  • Vis forfatter(e) 2003. Theoretical tools for interpreting high-resolution inner-shell photoelectron spectra of molecules.
  • Vis forfatter(e) 2003. Mechanistic studies of some chromium-based catalytic systems - by way of theory.
  • Vis forfatter(e) 2002. Quantum chemical modeling of homogeneous and heterogeneous chromium-based catalysis.
  • Vis forfatter(e) 2002. Grunnundervisning i kjemi.
  • Vis forfatter(e) 2002. Fine structure in C1s photoelectron spectra.
  • Vis forfatter(e) 2002. Catalytic dehydrogenation of ethane over Cr/silica.
  • Vis forfatter(e) 2001. Theoretical models of active sites at Cr/silica Phillips-type catalysts for ethylene polymerization.
  • Vis forfatter(e) 2001. Conductivity Studies in Benzotrifluoride.
  • Vis forfatter(e) 2000. Catalytic olefin polymerization.
  • Vis forfatter(e) 1999. Theoretical problems in photoelectron spectroscopy.
  • Vis forfatter(e) 1999. Theoretical models of polymerization of ethylene over a Phillips catalyst.
  • Vis forfatter(e) 1999. Theoretical models of polymerization of ethylene over a Phillips catalyst.
  • Vis forfatter(e) 1999. Theoretical Studies of Chromium as a Polymerization Catalyst.
  • Vis forfatter(e) 1999. Theoretical Analyses of Carbon 1s Photoelectron Spectra of Simple Alkanes.
  • Vis forfatter(e) 1998. Theoretical Modeling of Reaction Mechanisms on a Cluster Mimicking a Mononuclear Chromium site on the Phillips Catalyst.
  • 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. Chain-growth on a (bis-imido)chromium(IV) complex.
  • Vis forfatter(e) 1998. Bonding in Chromium oxides hydroxides and mixed oxo-hydroxides.
Anmeldelse
  • Vis forfatter(e) 2002. Alan Vincent, Molecular Symmetry and Group Theory. 2nd ed. Kjemi.
  • Vis forfatter(e) 2002. Alan Hinchliffe (ed.).Chemical Modelling. Applications and Theory. Volume 1. Kjemi.
Populærvitenskapelig artikkel
  • Vis forfatter(e) 2016. Rapport frå Division of Computational Chemistry og den 10. konferansen i EUCO-CC-serien. Kjemi. 16-18.
  • Vis forfatter(e) 2012. Nanopartiklar, naturlegvis! Naturen. 174-184.
  • Vis forfatter(e) 2012. La oss snakke om nanoteknologi! Naturen. 98-102.
  • Vis forfatter(e) 2009. Tettleiksfunksjonalteori med meir. Kjemi. 4-5.
  • Vis forfatter(e) 2005. Kunnskapsløftet - eit løft for kjemi? Kjemi.
  • Vis forfatter(e) 1998. Molecular modeling of metal-catalyzd reactions. Kjemi. 22-27.
Kronikk
  • Vis forfatter(e) 2000. Bokmelding av Hinchliffe, A.: Chemical Modeling - From Atoms to Liquids. Kjemi.
  • Vis forfatter(e) 1997. Principles and Practice of Heterogeneous Catalysis. Kjemi. 9-10.
Doktorgradsavhandling
  • Vis forfatter(e) 2007. Molecular modeling of the substrate specificity and of the membrane anchoring of Proteinase 3.
  • Vis forfatter(e) 2006. Lineshape models in inner-shell photoelectron spectra of free molecules and clusters.
  • Vis forfatter(e) 2006. A theoretical study of Cr/oxide catalysts for dehydrogenation of short alkanes.
Vitenskapelig Kapittel/Artikkel/Konferanseartikkel
  • Vis forfatter(e) 2011. Is there a simple relationship between C1s ionization energies and hybridization? 2 sider.
  • Vis forfatter(e) 2011. C1s photoelectron spectroscopy and modeling of ethane clusters. 2 sider.
  • Vis forfatter(e) 2010. Carbon 1s photoelectron spectroscopy as a tool in molecular conformational studies. 2 sider.
  • Vis forfatter(e) 2010. Carbon 1s photoelectron spectra of neutral CO2 clusters: Theoretical models applied to experimental spectra. 2 sider.
  • Vis forfatter(e) 2009. The structure of small water clusters revealed by photoelectron spectroscopy. 2 sider.
  • Vis forfatter(e) 2009. Photoelectron spectroscopy of fluoromethylbenzenes. 2 sider.
  • Vis forfatter(e) 2008. XPS of neutral CF4 Clusters - Size vs. Chemical Shifts. 2 sider.
  • Vis forfatter(e) 2008. Theoretical interpretation of the O1s photoelectron spectrum of medium-sized neutral water clusters. 2 sider.
  • Vis forfatter(e) 2008. Neutral CH3Br clusters studied by inner-shell XPS and modeling: Assessment of the polarization-only model for cluster-to-monomer shifts. 2 sider.
  • Vis forfatter(e) 2008. 1-Pentyne Conformers from Carbon 1s Photoelectron Spectroscopy. 2 sider.
  • Vis forfatter(e) 2007. Photoelectron spectroscopy of substituted benzenes. 2 sider.
  • Vis forfatter(e) 2007. Effects of Molecular Conformation on Inner-shell Ionization Energies. 3 sider.
  • Vis forfatter(e) 2005. Adsorption of 1,1-dichloroethene on the Si(111)-7x7 surface. 2 sider.
  • Vis forfatter(e) 2004. Preliminary investigation of conformational effects in the C1s photoelectron spectrum of ethanol. 2 sider.
  • Vis forfatter(e) 2002. Theoretical Models of Active Sites: General Considerations and Application to the Study of Phillips-Type Cr/Silica Catalysts for Ethylene Polymerization. 28 sider.
  • Vis forfatter(e) 1999. High-Resolution Carbon Is Photoelectron Spectrum of Small Molecules. 1 sider.
  • Vis forfatter(e) 1992. Recent Advances in Improved Oil Recovery Methods for North Sea Sandstone Resevoirs. (S. M. Skjæveland og J. Kleppe, eds.). 3 sider.
Sammendrag/abstract
  • Vis forfatter(e) 2007. First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters. Journal of Electron Spectroscopy and Related Phenomena. LXVI-LXVII.
  • Vis forfatter(e) 2007. Exploring molecular clusters by means of theory-assisted electron spectroscopy. Journal of Electron Spectroscopy and Related Phenomena. XXIII-XXIV.
Vitenskapelig oversiktsartikkel/review
  • Vis forfatter(e) 2007. Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory. Journal of the American Chemical Society. 8487-8499.

Se fullstendig oversikt over publikasjoner i CRIStin.

100. M. G. Zahl, R. Fossheim, K. J. Børve, L. J. Sæthre and T. D. Thomas, Electronic Properties of Chlorine, Methyl, and Chloromethyl as Substituents to the Ethylenic Group – Viewed from the Core of Carbon. J. Phys. Chem. A 119 (2015) 9481–9493.

99. J. Harnes, M. Abu-samha, M. Winkler, and K. J. Børve. Formation and Growth of Clusters of Sulfur Dioxide. Aerosol Sci. & Technol. 49 (2015) 451-462.

98. M. Winkler, V. Myrseth, J. Harnes, and K. J. Børve. Electron Attenuation in Free, Neutral Ethane Clusters. J. Chem. Phys. 141 (2014) 141-149.

97. M. J. Ryding, A. Giuliani, M. Patanen, J. Niskanen, G. Simões, G. B. S. Miller, E. Antonsson, T. Jokinen, C. Miron, O. Björneholm, K. Hansen, K. J. Børve and E. Uggerud. X-ray induced fragmentation of size-selected salt cluster-ions stored in an ion trap. RSC Adv. 4 (2014) 47743-47751.

96. M. Abu-samha and K. J. Børve. HCl Dissociation in Methanol Clusters from ab initio Molecular Dynamics Simulations and Inner-Shell Photoelectron Spectroscopy. J. Phys. Chem. A 118 (2014) 6900-6907.

95. M. Winkler, J. Harnes, and K. J. Børve, Structure of Self-Assembled Free Methanol/Tetrachloromethane Clusters. J. Phys. Chem. A 117 (2013) 13127–13137.

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

93. M. Patanen, O. Travnikova, M. G. Zahl, J. Söderström, P. Decleva, T. D. Thomas, S. Svensson, N. Mårtensson, L. J. Sæthre, K. J. Børve, and C. Miron, Laboratory-frame electron angular distributions: Probing the chemical environment through intramolecular electron scattering. Phys. Rev. A 87 (2013) 063420.

92. T. X. Carroll, M. G. Zahl, K. J. Børve, L. J. Sæthre, P. Decleva, A. Ponzi, J. J. Kas, F. D. Vila, J. J. Rehr, and T. D. Thomas, Intensity oscillations in the carbon 1s ionization cross sections of 2-butyne. J. Chem. Phys. 138 (2013) 234310.

91. A. Holme, K. J. Børve, L. J. Sæthre, T. D. Thomas. Conformations and CH/π interactions in aliphatic alkynes and alkenes. J. Phys. Chem. A 117 (2013) 2007-2019.

90. M. Abu-samha and K. J. Børve. Effective attenuation length from core-level photoelectron spectroscopy of CS2 clusters. J. Phys. B: At. Mol. Opt. Phys. 46 (2013) 025102.

89. N. Mårtensson, J. Söderström, S. Svensson, O. Travnikova, M. Patanen, C. Miron, L. J. Sæthre, K. J. Børve, T. D. Thomas, J. J. Kas, F. D. Vila, and J. J. Rehr, On the relation between Photoelectron Spectroscopy and XAFS. J. Phys.: Conf. Ser. 430 (2013) 012131-1-12.

88. K. J. Børve, Comment on `Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levels. J. Phys. B: At. Mol. Opt. Phys. 45 (2012) 238001-1-3

87. A. Holme, L. J. Sæthre, K. J. Børve, T. D. Thomas. Chemical reactivity of alkenes and alkynes as seen from activation energies, enthalpies of protonation, and carbon 1s ionization energies. J. Org. Chem. 77 (2012) 10105-10117.

86. M. G. Zahl, K. J. Børve, L. J. Sæthre, Carbon 1s photoelectron spectroscopy of the chlorinated methanes: Lifetimes and accurate vibrational lineshape models. J. Electron Spectrosc. Relat. Phenom. 185 (2012) 226-233.

85. M. Patanen, K. J. Børve, J. A. Kettunen, S. Urpelainen, M. Huttula, H. Aksela, S. Aksela, Valence photoionization and photoelectron-photoion coincidence (PEPICO) study of molecular LiCl and Li2Cl2. J. Electron Spectrosc. Relat. Phenom. 185 (2012) 285-293.

84. O. Travnikova, K. J. Børve, M. Patanen, J. Söderström, C. Miron, L. J. Sæthre, N. Mårtensson, S. Svensson The ESCA molecule - historical remarks and new results. J. Electron Spectrosc. Relat. Phenom. 185 (2012) 191-197.

83. J. Söderström, N. Mårtensson, O. Travnikova, M. Patanen, C. Miron, L. J. Sæthre, K. J. Børve, J. J. Rehr, J. J. Kas, F. D. Vila, T. D. Thomas, and S. Svensson, Non-stoichiometric intensities in core photoelectron spectroscopy. Phys. Rev. Lett. 108 (2012) 193005-1-4.

82. A. Holme, K. J. Børve, L. J. Sæthre, and T. D. Thomas, Accuracy of calculated chemical shifts in carbon 1s ionization energies from single-reference ab initio methods and density-functional theory. J. Chem. Theory Comput. 7 (2011) 4104–4114.

81. M. Winkler, J. Harnes, and K. J. Børve, The Structure of Neutral Nanosized Clusters Produced by Co-Expansion of CF4 and CH4. J. Phys. Chem. A 115 (2011) 13259–13268.

80. J. Harnes, M. Winkler, A. Lindblad, L. J. Sæthre and K. J. Børve, The Size of Free Neutral CO2 Clusters from Carbon 1s Ionization Energies. J. Phys. Chem. A 115 (2011) 10408–10415.

79. J. Harnes, M. Abu-samha, H. Bergersen, M. Winkler, A. Lindblad, L. J. Sæthre, O. Björneholm and K. J. Børve, The structure of mixed methanol/chloroform clusters from core-level photoelectron spectroscopy and modeling. New J. Chem. 35 (2011) 2564-2572.

78.    N. Ottosson, K. J. Børve, D. Spångberg, et al. " On the origins of core-electron chemical shifts of small biomolecules in aqueous solution: Insights from photoemission and ab initio calculations of glycine_aq"  J. Am. Chem. Soc. 133 (2011) 3120-3130.

77.    L. J. Sæthre, K. J. Børve and T. D. Thomas, Chemical shifts of carbon 1s ionization energies, J. Electron Spectrosc. Rel. Phen. (2010) J. Electron Spectrosc. Relat. Phenom. 183 (2011) 2-9.

76.    M. G. Zahl, V. Myrseth, T. H. Andersen, A. Borg, L. J. Sæthre and K. J. Børve, Molecular spectra as a tool in assigning carbon 1s photoelectron spectra of physisorbed overlayers. J. Phys. Chem. C (2010) 114 15383–15393.

75.    O. Travnikova, D. Céolin, Z. Bao, K. J. Børve, T. Tanaka, M. Hoshino, H. Kato, H. Tanaka, J.R. Harries, Y. Tamenori, G. Prümper, T. Lischke, X.-J. Liu, M.N. Piancastelli, K. Ueda Selective vibrational excitation in the resonant Auger decay following core-to-π* transitions in N2O. J. Electron Spectrosc. Rel. Phen. (2010) 181 129-134.

74.    A. Holme, L.J. Sæthre, K.J. Børve, T.D. Thomas, Carbon 1s photoelectron spectroscopy of 1-pentyne conformers. J. Mol. Struct. (2009) 920 387-392.

73.    T.X. Carroll, T.D. Thomas, L.J. Sæthre, K. J. Børve, Additivity of substituent effects. Core-ionization energies and substituent effects in fluoromethylbenzenes, J. Phys. Chem. A (2009) 113 3481–3490

72.    M. Abu-samha, K. J. Børve, A. Lindblad, H. Bergersen, M. Winkler, J. Harnes, G. Öhrwall, O. Björneholm, S. Svensson, and L. J. Sæthre, The local structure of small water clusters: imprints on the core-level photoelectron spectrum. J. Phys. B: At. Mol. Opt. Phys. (2009) 42  055201.

71.    J. Harnes, M. Abu-samha, M. Winkler, H. Bergersen, L. J. Sæthre and K. J. Børve, Neutral CH3Cl and CH3Br clusters studied by x-ray photoelectron spectroscopy and modeling: Insight to intermolecular interactions and structure. J. Electron Spectrosc. Relat. Phen. (2008) 166-167, 53-64.

70.    M. Abu-samha and K. J. Børve, Surface relaxation in water clusters: Evidence from theoretical analysis of the oxygen 1s photoelectron spectrum. J. Chem. Phys. (2008) 128, 154710.

69.    S.L.Sorensen, K.J.Børve, R.Feifel, A. de Fanis and K.Ueda, The O1s photoelectron spectrum of molecular oxygen revisited. J. Phys. B: At. Mol. Opt. Phys. (2008) 41, 095101.

68.    T H Andersen, M G Zahl, I-H Svenum, K J Børve, A. Borg; and L J Sæthre, Chemisorption of 1,1-dichloroethene on the Si(111)-7x7 surface. Surface Science (2007) 601, 5510-5514.

67.    M. Abu-samha, K. J. Børve, J. Harnes, and H. Bergersen. What can C1s photoelectron spectroscopy tell about structure and bonding in clusters of methanol and methyl chloride? J. Phys. Chem. A (2007) 111 8903-8909.

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

65.    V. Myrseth, , L. J. Sæthre, K. J. Børve, and T. D. Thomas, The Substituent Effect of the Methyl Group. Carbon 1s Ionization Energies, Proton Affinities, and Reactivities of the Methylbenzenes. J. Org. Chem. (2007) 72, 5715 -5723.

64.    T. D. Thomas, L. J. Sæthre, and K. J. Børve, Effects of molecular conformation on inner-shell ionization energies. Phys. Chem. Chem. Phys. (2007) 9, 719 – 724.

63.    H. Bergersen, M. Abu-samha, A. Lindblad, R. R. T. Marinho, G. Öhrwall, M. Tchaplyguine, K. J. Børve, S. Svensson, and O. Björneholm, Two size regimes of methanol clusters produced by adiabatic expansion. J. Chem. Phys. 125 (2006)184303.

62.    M. Abu-samha and K. J. Børve, Franck-Condon transitions in a system with large-amplitude anharmonic vibrations coupled to a harmonic-oscillator bath: Application to the C 1s photoelectron spectrum of ethanol. Phys. Rev. A. 74 (2006) 042508.

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

60.    H. Bergersen, M. Abu-samha, A. Lindblad, R. R.T. Marinho, D. Céolin, G. Öhrwall, L. J. Sæthre, M. Tchaplyguine, K. J. Børve, S. Svensson and O. Björneholm. First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters. Chem. Phys. Lett. 429 (2006) 109-113.

59.    M. Abu-samha, K. J. Børve, L. J. Sæthre, G. Öhrwall, H. Bergersen, T. Randers, O. Björneholm, and M. Tchaplyguine. Lineshapes in carbon 1s photoelectron spectra of methanol clusters. Phys. Chem. Chem. Phys. 8 (2006) 2473 - 2482.

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

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

56.    T.X. Carroll, T. D. Thomas, H. Bergersen, K. J. Børve, and L J. Sæthre, Fluorine as a pi donor. Carbon 1s photoelectron spectroscopy and proton affinities of fluorobenzenes. J. Org. Chem. 71 (2006) 1961-1968.

55.    H. Bergersen, M. Abu-samha, J. Harnes, O. Björneholm, S. Svensson, L. J. Sæthre, and K. J. Børve, Size of neutral argon clusters from core photoelectron spectroscopy. Phys. Chem. Chem. Phys. 8 (2006) 1891-1898.

54.    S. Lillehaug, V. R. Jensen and K. J. Børve, 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 19 (2006) 25-33.

53.    M. Abu-samha, K. J. Børve, L. J. Sæthre, and T. D. Thomas, Conformational Effects in Inner-Shell Photoelectron Spectroscopy of Ethanol. Physical Review Letters 95 (2005) 103002.

52.    T. D. Thomas, L. J. Sæthre, K. J. Børve, M. Gundersen and E. Kukk, Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene. Journal of Physical Chemistry A 109 (2005) 5085-5092.

51.    S. Lillehaug, K. J. Børve, M. A. Sierka and J. Sauer Catalytic Dehydrogenation of Ethane over Mononuclear Cr(III) Surface Sites on Silica. Part I. C–H activation by σ-bond metathesis. Journal of Physical Organic Chemistry 17 (2004) 990-1006.

50.    V. M. Oltedal, K. J. Børve, L. J. Sæthre, T. D. Thomas, J. D. Bozek and E. Kukk Carbon 1s photoelectron spectroscopy of six-membered cyclic hydrocarbons. Phys. Chem. Chem. Phys. 6 (2004) 4254-4259.

49.    T. D. Thomas, L. J. Sæthre, K. J. Børve, V. M. Oltedal, J. D. Bozek, M. Huttula, and E. Kukk Carbon 1s photoelectron spectroscopy of halomethanes. Effects of electronegativity, hardness, charge distribution, and relaxation. Journal of Physical Chemistry A 108 (2004) 4983-4990.

48.    S. Boitsov, K. J. Børve, S. Rayyan, K. W. Törnroos and J. Songstad, Conductivity studies in benzotrifluoride. Journal of Molecular Liquids 103-104 (2003) 221-233.

47.    V. Myrseth, K. J. Børve L. J. Sæthre, K. Wiesner, M. Bässler and S. Svensson, Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of benzene and deuterobenzene. Phys. Chem. Chem. Phys. 4 (2002) 5937 - 5943.

46.    A. Giertz, M. Bäßler, O. Björneholm, H. Wang, R. Feifel, C. Miron, L. Karlsson, S. Svensson, K. J. Børve, and L. J. Sæthre, High Resolution C1s and S2p Photoelectron Spectra of Thiophene. J. Chem. Phys. 117 (2002) 7587-7592.

45.    T. Karlsen, K. J. Børve L. J. Sæthre, K. Wiesner, M. Bässler and S. Svensson, Toward the spectrum of free polyethylene:  Linear alkanes studied by carbon 1s photoelectron spectroscopy and theory. J. Am. Chem. Soc. 124 (2002) 7866-7873.

44.    T. X. Carroll, K. J. Børve, L. J. Sæthre, J. D. Bozek, E. Kukk, J. A. Hahne and T. D. Thomas, Carbon 1s photoelectron spectroscopy of CF4 and CO. Search for chemical effects on the carbon 1s hole-state lifetime. J. Chem. Phys. 116 (2002) 10221-10228.

43.    Ø. Espelid and K. J. Børve, Molecular-Level Insight into Cr/Silica Phillips- type Catalysts. Polymerization-Active Dinuclear Chromium Sites. J. Catal. 206 (2002) 331-338.

42.    A. Giertz, K. J. Børve, M. Bäßler, K. Wiesner, S. Svensson, L. Karlsson, and L. J. Sæthre, Vibrationally Resolved Photoelectron Spectra of the Carbon 1s and Nitrogen 1s Shells in Hydrogen Cyanide. Chem. Phys. 277 (2002) 83-90.

41.    V.R. Jensen and K.J. Børve, Reduction of chromium in ethylene polymerization using bis(imido)chromium(VI) catalyst precursors. Chem. Commun. (2002) 542-3.

40.    Ø. Espelid and K. J. Børve, Molecular-Level Insight into Cr/Silica Phillips’ type Catalysts. Polymerization-Active Mononuclear Chromium Sites. J. Catal. 205 (2002) 366-374.

39.    Ø. Espelid and K. J. Børve, Theoretical Analysis of CO Adsorption on the Reduced Cr/Silica System. J. Catal. 205 (2002) 177-190.

38.    L. J. Sæthre, N. Berrah, J. D. Bozek, K. J. Børve, T. X. Carroll, E. Kukk, G. L. Gard, R. Winters and T.D. Thomas, Chemical Insights from High-Resolution Photoelectron Spectroscopy and ab initio Theory: Propyne, Trifluoropropyne and Ethynylsulfur pentafluoride. J. Am. Chem. Soc. 123 (2001) 10729-10737.

37.    T. Karlsen, L. J. Sæthre, K. J. Børve, N. Berrah, E. Kukk, J. D. Bozek, T. X. Carroll, and T.D. Thomas, Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of ethane and deuteroethane. J. Phys. Chem. A 105 (2001) 7700-7706.

36.    Ø. Espelid and K. J. Børve, Theoretical Analysis of d-d Spectra of the Reduced Cr/Silica System. Catal. Lett. 75 (2001) 49-56.

35.    T. Karlsen, K. J. Børve and L. J. Sæthre, Second-Order Møller-Plesset Perturbation Theory for Computing Molecular-Field Splitting. Application to the S2p3/2 Level in C2H2n+1SF5, n=0,1, and 2. Chem. Phys. 270 (2001) 55-65.

34.    V.R. Jensen and K.J. Børve, A theoretical investigation of bis(imido)chromium(VI) cations as polymerization catalysts. Organometallics 20 (2001) 616-626.

33.    K.J. Børve, L.J. Sæthre, J.D. Bozek, T. X. Carroll, and T.D. Thomas, Vibronic Coupling in the Carbon 1s Photoelectron Spectrum of HCCH and DCCD. Phys. Rev. A. 63 (2001) 012506-1-14

32.    Ø. Espelid and K.J. Børve, Theoretical Models of Ethylene Polymerization over a Mononuclear Chromium(II)/Silica Site. J. Catal. 195 (2000) 125-139.

31.    K.I. Doudin, R.K. Berge, K.J. Børve, J. Songstad, and K.W. Törnroos, 2,2’-Selenobis(acetic acid), Se(CH2C(O)OH)2; An Old Compound with a Novel Structure. J. Mol. Struc. 554 (2000) 149-161.

30.    K.J. Børve and T.D. Thomas, Calculation of Initial-State Effects on Inner-Shell Ionization Energies. J. Electron Spec. Rel. Phen. 107 (2000) 155-161.

29.    T. Karlsen and K.J. Børve, Evidence of Fermi Resonance in Core-ionized Methane. J. Chem. Phys. 112, (2000) 7986-7991.

28.    T. Karlsen and K.J. Børve, Accurate and Approximate Calculations of Franck-Condon Intensities in the Carbon 1s Photoelectron Spectrum of Methane. J. Chem. Phys. 112, (2000) 7979-7985.

27.    V.R. Jensen, K. Angermund, P.W. Jolly, and K.J. Børve, Activity Of Homogeneous Chromium(III)-Based Alkene Polymerization Catalysts: The Lack of Importance of the Barrier to Ethylene Insertion. Organometallics 19 (2000) 403-410.

26.    K.J. Børve and T.D. Thomas, Molecular-Field Splitting of the 2p3/2 Level in Second-Row Atoms - A Theoretical Study of Phosphine and Phosphorus Trifluoride. J. Chem. Phys. 111 (1999) 4478-4486.

25.    K.J. Børve, L.J. Sæthre, J.D. Bozek, J. True, and T.D. Thomas, Molecular-field splitting and vibrational structure in the phosphorus 2p photoelectron spectrum of PF3. J. Chem. Phys. 111 (1999) 4472-4477.

24.    K.J. Børve, L.J. Sæthre and S. Svensson, Molecular-field splitting in SCl2 and S(CH3)2. Chem. Phys. Lett. 310 (1999) 439-444.

23.    K. Torskangerpoll, K.J. Børve, Ø.M. Andersen, and L.J. Sæthre, Color and substitution pattern in anthocyanidins. A combined quantum chemical - chemometrical approach. Spectrochim. Acta Part A 55 (1999) 761-771.

22.    K. Todnem, K.J. Børve, and M. Nygren, Molecular adsorption of methane and methyl onto MgO(100). An embedded-cluster study. Surface Science 42 (1999) 296-307.

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

20.    Ø. Espelid, K.J. Børve and V.R. Jensen, Structure and Thermodynamics of Gaseous Oxides, Hydroxides and mixed Oxo-hydroxides of Chromium, CrOm(OH)n. A Computational Study. J. Phys. Chem. A 102 (1998) 10414-10423.

19.    Ø. Espelid and K.J. Børve, Accurate enthalpies of formation for CrX, X=O, OH, F. A computational study. J. Phys. Chem. A 101 (1997) 9449-9456.

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

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

16.    M.F. Siggel, C.Field, L.J. Sæthre, K.J. Børve and T.D. Thomas, High resolution photoelectron spectroscopy of sulfur 2p electrons in H2S, SO2, CS2, and OCS. J. Chem. Phys. 105 (1996) 9035-9.

15.    K.J. Børve, On the calculation of molecular field splitting in S2p photoelectron spectra. Chem. Phys. Lett. 262 (1996) 801-6.

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

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

12.    G.M. Førland, T. Rahman, H. Høiland and K.J. Børve, Adsorption of sodium dodecyl sulfate and butanol onto acidic and basic alumina. J. Colloid Interface Sci. 182 (1996) 348-55.

11.    G.M. Førland, K.J. Børve, H. Høiland and A. Skauge, Adsorption of short chain alcohols from decane solutions onto kaolinite. J. Colloid Interface Sci. 171 (1995) 261.

10.    V.R. Jensen, K.J. Børve, N. Westberg and M. Ystenes, Titanium-ethylene complexes proposed to be intermediates in Ziegler-Natta catalysis. Can they be detected through vibrational spectroscopy? Organometallics 14 (1995) 4349-58.

9.      V.R. Jensen, K.J. Børve and M. Ystenes, The Ziegler-Natta ethylene insertion reaction for a five-coordinate titanium chloride complex bridged to an aluminum hydride cocatalyst. J. Am. Chem. Soc. 117 (1995) 4109.

8.      K.J. Børve and J.P. Hansen, Electron capture from the light noble gases. J. Phys. B: At. Mol. Opt. Phys. 26 (1993) L677.

7.      K.J. Børve and J.P. Hansen, On the cluster-size dependence of electron capture cross sections in ion-cluster collisions. Z. Phys. D25 (1993) 247.

6.      K.J. Børve, Molecular adsorption of NH3 on MgO (001) and hydrogen abstraction from NH3 on gaseous LiO and Li-doped MgO (001). A computational study. J. Chem. Phys. 96 (1992) 6281.

5.      K.J. Børve, Methane dissociation on a nonplanar MgO (001) surface. J. Chem. Phys. 95 (1991) 4626.

4.      K.J. Børve and L.G.M. Pettersson, Hydrogen Abstraction from Methane on an MgO (001) surface. J. Phys. Chem. 95 (1991) 7401.

3.      K.J. Børve and L.G.M. Pettersson, Gas-Phase Hydrogen Abstraction from Methane Using Metal Oxides. Theoretical Study. J. Phys. Chem. 95 (1991) 3214.

2.      K.J. Børve and P.E.M. Siegbahn, Theoretical cluster-model study of line-broadening effects in core-level spectra. Phys. Rev. B43 (1991) 9413.

1.      K.J. Børve and P.E.M. Siegbahn, A note on the electronic structure of O2-. Theor. Chim. Acta 77 (1990) 409.