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Knut Børve

Head of Department
  • E-mailKnut.Borve@uib.no
  • Phone+47 55 58 33 65+47 476 27 005
  • Visitor Address
    Realfagbygget, Allégt. 41
    Room 
    3015
  • Postal Address
    Postboks 7803
    5020 BERGEN

 

Courses:

NANO100 Perspectives on nanoscience and -technology. (Spring term, 10 ECTS credits)

NANO300 Seminar in nanoscience. (Fall term, 5 ECTS credits)

KJEM221 Basic quantum mechanics (Fall term, 10 ECTS credits)

 

 

Tematic areas for master thesis projects:

Nanodroplets: Experimental and molecular-modeling-based investigations of the formation, structure, stability and properties of free, neutral nanodroplets or clusters formed by molecules.

Theoretical spectroscopy: Develop the theoretical description of high-resolution inner-shell photoelectron experiments, to facilitate optimal extraction of information from experimental studies using this kind of spectroscoy.

Conformational studies of molecules: To explore conformational equilibria of molecules in the gas phase, by combining the experimental technique of photoelectron spectroscopy with advanced theoretical modeling.

 

Previous master thesis projects:

 

  • Photoelectron spectroscopy and chemical properties of propene compounds
  •  Polarization during ionization of an argon atom at the surface of a cluster
  •  Activation energies, proton affinities and core-ionization energies for chlorosubstituted ethenes
  • Lineshapes in inner-shell photoelectron spectra of rare-gas clusters
  • An investigation of a newly proposed embedding scheme for cluster models

 

Academic article
  • Travnikova, Oksana; Patanen, Minna; Söderström, Johan; Lindblad, Andreas; Kas, Joshua J.; Vila, Fernando D.; Ceolin, Denis; Marchenko, Tatiana; Goldsztejn, Gildas; Guillemin, Renaud; Journel, Loïc; Carroll, Thomas X.; Børve, Knut J.; Decleva, Piero; Rehr, John J.; Mårtensson, Nils; Simon, Marc; Svensson, Svante; Sæthre, Leif J. 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.
  • Zahl, Maria Gundersen; Sæthre, Leif J; Thomas, Thomas Darrah; Børve, Knut J. 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.
  • Winkler, Mathias; Børve, Knut J. 2018. Attenuation of slow (10-40 eV) electrons in soft nanoparticles: Size matters in argon clusters. Physical review. E. 10 pages.
  • Abu-Samha, Mahmoud; Ryding, Mauritz Johan Olof; Uggerud, Einar; Sæthre, Leif J; Børve, Knut J. 2017. Changing role of carrier gas in formation of ethanol clusters by adiabatic expansion. Journal of Chemical Physics. 9 pages.
  • Harnes, Jarle; Abu-Samha, Mahmoud Ahmad M; Winkler, Mathias; Børve, Knut J. 2015. Formation and growth of clusters of sulfur dioxide. Aerosol Science and Technology. 451-462.
  • Zahl, Maria Gundersen; Fossheim, Randi; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 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.
  • Ryding, Mauritz Johan Olof; Giuliani, Alexandre; Patanen, Minna; Niskanen, Johannes; Simoes, Grazieli; Miller, Glenn B.S.; Antonsen, Egill; Jokinen, Tuija; Miron, Catalin; Björneholm, Olle; Hansen, Klavs; Børve, Knut J.; Uggerud, Einar. 2014. X-ray induced fragmentation of size-selected salt cluster-ions stored in an ion trap. RSC Advances. 47743-47751.
  • Abu-Samha, Mahmoud Ahmad M; Børve, Knut J. 2014. HCl dissociation in methanol clusters from Ab initio molecular dynamics simulations and inner-shell photoelectron spectroscopy. Journal of Physical Chemistry A. 6900-6907.
  • Winkler, Mathias; Myrseth, Velaug; Harnes, Jarle; Børve, Knut J. 2014. Electron attenuation in free, neutral ethane clusters. Journal of Chemical Physics.
  • Winkler, Mathias; Harnes, Jarle; Børve, Knut J. 2013. Structure of self-assembled free methanol/tetrachloromethane clusters. Journal of Physical Chemistry A. 13127-13137.
  • Mårtensson, Nils; Söderström, Johan; Svensson, Svante; Travnikova, Oksana; Patanen, Mina; Miron, Catalin; Sæthre, Leif J; Børve, Knut J.; Thomas, T. Darrah; Kas, Joshua J.; Vila, Fernando D.; Rehr, John J. 2013. On the relation between X-ray Photoelectron Spectroscopy and XAFS. Journal of Physics: Conference Series. 1-12.
  • Patanen, Minna; Travnikova, Oksana; Zahl, Maria Gundersen; Söderström, Johan; Decleva, Pietro; Thomas, Thomas Darrah; Svensson, Svante; Mårtensson, Nils; Børve, Knut J.; Sæthre, Leif J; Miron, Catalin. 2013. Laboratory-frame electron angular distributions: Probing the chemical environment through intramolecular electron scattering. Physical Review A. Atomic, Molecular, and Optical Physics (PRA). 7 pages.
  • Carroll, Thomas X.; Zahl, Maria Gundersen; Børve, Knut J.; Sæthre, Leif J; Decleva, Piero; Ponzi, Aurora; Kas, Joshua J.; Vila, Fernando D.; Rehr, John J.; Thomas, T. Darrah. 2013. Intensity oscillations in the carbon 1s ionization cross sections of 2-butyne. Journal of Chemical Physics.
  • Abu-Samha, Mahmoud Ahmad M; Børve, Knut J. 2013. Effective attenuation length from core-level photoelectron spectroscopy of CS2 clusters. Journal of Physics B: Atomic, Molecular and Optical Physics. 7 pages.
  • Holme, Alf; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 2013. Conformations and CH/π Interactions in Aliphatic Alkynes and Alkenes. Journal of Physical Chemistry A. 2007-2019.
  • Sparta, Manuel; Jensen, Vidar Remi; Børve, Knut J. 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.
  • Patanen, Minna; Børve, Knut J.; Kettunen, Jari A.; Urpelainen, Samueli; Huttula, Marko; Aksela, Helena; Aksela, Seppo. 2012. Valence photoionization and photoelectron-photoion coincidence (PEPICO) study of molecular LiCl and Li2Cl2. Journal of Electron Spectroscopy and Related Phenomena. 285-293.
  • Travnikova, Oksana; Børve, Knut J.; Patanen, Minna; Söderström, Johan; Miron, Catalin; Sæthre, Leif J; Mårtensson, Nils; Svensson, Svante. 2012. The ESCA molecule-Historical remarks and new results. Journal of Electron Spectroscopy and Related Phenomena. 191-197.
  • Söderström, Johan; Mårtensson, Nils; Travnikova, Oksana; Patanen, Minna; Miron, Catalin; Sæthre, Leif J; Børve, Knut J.; Rehr, John J.; Kas, Joshua J.; Vila, Fernando D.; Thomas, T. Darrah; Svensson, Svante. 2012. Nonstoichiometric Intensities in Core Photoelectron Spectroscopy. Physical Review Letters. 4 pages.
  • Holme, Alf; Sæthre, Leif J; Børve, Knut J.; Thomas, T. Darrah. 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.
  • Zahl, Maria Gundersen; Børve, Knut J.; Sæthre, Leif J. 2012. Carbon 1s photoelectron spectroscopy of the chlorinated methanes: Lifetimes and accurate vibrational lineshape models. Journal of Electron Spectroscopy and Related Phenomena. 226-233.
  • Harnes, Jarle; Abu-Samha, Mahmoud Ahmad M; Bergersen, Henrik; Winkler, Mathias; Lindblad, Andreas; Sæthre, Leif J; Björneholm, Olle; Børve, Knut J. 2011. The structure of mixed methanol/chloroform clusters from core-level photoelectron spectroscopy and modeling. New Journal of Chemistry. 2564-2572.
  • Harnes, Jarle; Winkler, Mathias; Lindblad, Andreas; Sæthre, Leif J; Børve, Knut. 2011. The size of free neutral CO2 clusters from carbon 1s ionization energies. Journal of Physical Chemistry A. 10408-10415.
  • Winkler, Mathias; Harnes, Jarle; Børve, Knut J. 2011. Structure of Neutral Nanosized Clusters Produced by Coexpansion of CF4 and CH4. Journal of Physical Chemistry A. 13259-13268.
  • Ottosson, Niklas; Børve, Knut J.; Spangberg, Daniel; Bergersen, Henrik; Sæthre, Leif J; Faubel, Manfred; Pokapanich, Wandared; Öhrwall, Gunnar; Björneholm, Olle; Winter, Bernd. 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.
  • Sæthre, Leif J; Børve, Knut; Thomas, T. Darrah. 2011. Chemical shifts of carbon 1s ionization energies. Journal of Electron Spectroscopy and Related Phenomena. 2-9.
  • Holme, Alf; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 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.
  • Travnikova, O; Ceolin, D; Bao, Z; Børve, Knut; Tanaka, T; Hoshino, M; Kato, H; Tanaka, H; Harries, JR; Tamenori, Yusuke; Prumper, G; Lischke, T; Liu, XJ; Piancastelli, MN; Ueda, K. 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.
  • Zahl, Maria Gundersen; Myrseth, Velaug ; Andersen, Trine; Harnes, Jarle; Borg, Anne; Sæthre, Leif J.; Børve, Knut J. 2010. Molecular Spectra As a Tool in Assigning Carbon 1s Photoelectron Spectra of Physisorbed Overlayers. Journal of Physical Chemistry C. 15383-15393.
  • Abu-Samha, Mahmoud Ahmad M.; Børve, Knut J.; Winkler, Mathias; Harnes, Jarle; Sæthre, Leif J; Lindblad, Andreas; Bergersen, Henrik; Öhrwall, Gunnar; Björneholm, Olle; Svensson, Svante. 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.
  • Holme, Alf; Sæthre, Leif J; Børve, Knut J.; Thomas, Thomas Darrah. 2009. Carbon 1s photoelectron spectroscopy of 1-pentyne conformers. Journal of Molecular Structure. 387-392.
  • Carroll, Thomas X.; Thomas, T. Darrah; Sæthre, Leif J; Børve, Knut J. 2009. Additivity of Substituent Effects. Core-Ionization Energies and Substituent Effects in Fluoromethylbenzenes. Journal of Physical Chemistry A. 3481-3490.
  • Sörensen, Stacey L.; Børve, Knut J.; Feifel, Raimund; de Fanis, Alberto; Ueda, Kosuke Ulrich. 2008. The O 1s photoelectron spectrum of molecular oxygen revisited. Journal of Physics B: Atomic, Molecular and Optical Physics. 7 pages.
  • Abu-Samha, Mahmoud Ahmad M.; Børve, Knut J. 2008. Surface relaxation in water clusters: Evidence from theoretical analysis of the oxygen 1s photoelectron spectrum. Journal of Chemical Physics. 6 pages.
  • Harnes, Jarle; Abu-Samha, Mahmoud Ahmad M.; Winkler, Mathias; Bergersen, Henrik; Sæthre, Leif J; Børve, Knut J. 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.
  • Abu-Samha, Mahmoud Ahmad M.; Børve, Knut J.; Harnes, Jarle; Bergersen, H. 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.
  • Myrseth, Velaug ; Sæthre, Leif J; Børve, Knut J.; Thomas, T. Darrah. 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.
  • Thomas, Thomas Darrah; Sæthre, Leif J; Børve, Knut J. 2007. Effects of molecular conformation on inner-shell ionization energies. Physical Chemistry, Chemical Physics - PCCP. 719-724.
  • Andersen, Trine Højberg; Zahl, Maria Gundersen; Svenum, Ingeborg-Helene; Børve, Knut J.; Borg, Anne; Sæthre, Leif J. 2007. Chemisorption of 1,1-dichloroethene on the Si(111)-7x7 surface. Surface Science. 5510-5514.
  • Bergersen, Henrik; Abu-Samha, Mahmoud Ahmad M.; Lindblad, Andreas; Marinho, R. R. T.; Öhrwall, Gunnar; Tchaplyguine, Maxim; Børve, Knut J.; Svensson, Svante; Björneholm, Olle. 2006. Two size regimes of methanol clusters produced by adiabatic expansion. Journal of Chemical Physics. 184303.
  • Sparta, Manuel; Jensen, Vidar Remi; Børve, Knut J. 2006. Structure and stability of substitutional metallofullerenes of the first-row transition metals. Fullerenes, nanotubes, and carbon nanostructures. 269-278.
  • Sparta, Manuel; Børve, Knut J.; Jensen, Vidar Remi. 2006. Structure and stability of networked metallofullerenes of the transition metals. Journal of Physical Chemistry A. 11711-11716.
  • Bergersen, Henrik; Abu-Samha, Mahmoud Ahmad M.; Harnes, Jarle; Björneholm, Olle; Svensson, Svante; Sæthre, Leif J; Børve, Knut. 2006. Size of neutral argon clusters from core-level photoelectron spectroscopy. Physical Chemistry, Chemical Physics - PCCP. 1891-1898.
  • Loboda, Oleksandr; Jensen, Vidar Remi; Børve, Knut J. 2006. Multiple additions of palladium to C-60. Fullerenes, nanotubes, and carbon nanostructures. 365-371.
  • Abu-Samha, Mahmoud Ahmad M.; Børve, Knut J.; Sæthre, Leif J; Öhrwall, Gunnar; Bergersen, Henrik; Rander, Torbjörn; Björneholm, Olle; Tchaplyguine, Maxim. 2006. Lineshapes in carbon 1s photoelectron spectra of methanol clusters. Physical Chemistry, Chemical Physics - PCCP. 2473-2482.
  • Abu-Samha, Mahmoud Ahmad M.; Børve, Knut J. 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.
  • Carroll, Thomas X.; Thomas, T. Darrah; Bergersen, Henrik; Børve, Knut J.; Sæthre, Leif J. 2006. Fluorine as a pi donor. Carbon 1s photoelectron spectroscopy and proton affinities of fluorobenzenes. Journal of Organic Chemistry. 1961-1968.
  • Bergersen, Henrik; Abu-Samha, Mahmoud Ahmad M.; Lindblad, Andreas; Marinho, Ricardo R.T.; Ceolin, Denis; Öhrwall, Gunnar; Sæthre, Leif J; Tchaplyguine, Maxim; Børve, Knut J.; Svensson, Svante; Björneholm, Olle. 2006. First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters. Chemical Physics Letters. 109-113.
  • Lillehaug, Sindre; Jensen, Vidar Remi; Børve, Knut J. 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.
  • Thomas, T. Darrah; Sæthre, Leif J; Børve, Knut J.; Gundersen, Maria; Kukk, Edwin. 2005. Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene. Journal of Physical Chemistry A.
  • Abu-samha, Mahmoud; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 2005. Conformational effects in inner-shell photoelectron spectroscopy of ethanol. Physical Review Letters. 4 pages.
  • Lillehaug, Sindre; Børve, Knut. 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.
  • Oltedal, Velaug Myrseth; Børve, Knut; Sæthre, Leif J; Thomas, T. Darrah; Bozek, John D.; Carroll, Thomas X.; Kukk, Edwin. 2004. Carbon 1s photoelectron spectroscopy of six-carbon cyclic hydrocarbons. Physical Chemistry, Chemical Physics - PCCP. 4254-4259.
  • Thomas, T. Darrah; Sæthre, Leif J; Børve, Knut; Bozek, John D.; Huttula, Marko; Kukk, Edwin. 2004. Carbon 1s photoelectron spectroscopy of halomethanes. Effects of electronegativity, hardness, charge distribution, and relaxation. Journal of Physical Chemistry A. 4983-4990.
  • Boitsov, Stepan; Børve, Knut J.; Rayyan, Saleh. A.M.; Törnroos, Karl Wilhelm; Songstad, Jon. 2003. Conductivity studies in Benzotrifluoride. Journal of Molecular Liquids. 221-233.
  • Giertz, Annika; Børve, Knut J.; Bassler, Margit; Wiesner, Karoline; Svensson, Svante; Karlsson, Leif; Sæthre, Leif J. 2002. Vibrationally Resolved Photoelectron Spectra of the Carbon 1s and Nitrogen 1s Shells in Hydrogen Cyanide. Chemical Physics. 83-90.
  • Myrseth, Velaug ; Børve, Knut J.; Sæthre, Leif J; Wiesner, Karoline; Bassler, Margit; Svensson, Svante. 2002. Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of benzene and deuterobenzene. Physical Chemistry, Chemical Physics - PCCP. 5937-5943.
  • Karlsen, Tor; Børve, Knut J.; Sæthre, Leif J; Wiesner, Karoline; Bassler, Margit; Svensson, Svante. 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.
  • Espelid, Øystein; Børve, Knut J. 2002. Theoretical Analysis of CO Adsorption on the Reduced Cr/Silica System. Journal of Catalysis. 177-190.
  • Jensen, Vidar Remi; Børve, Knut J. 2002. Reduction of chromium in ethylene polymerization using bis(imido)chromium(VI) catalyst precursors. Chemical Engineering Communications. 542-543.
  • Espelid, Øystein; Børve, Knut J. 2002. Molecular-level insight into Cr/Silica Phillips-type catalysts. Polymerization-active dinuclear chromium sites. Journal of Catalysis. 331-338.
  • Espelid, Øystein; Børve, Knut J. 2002. Molecular-Level Insight into Cr/Silica Phillips’ type Catalysts. Polymerization-Active Mononuclear Chromium Sites. Journal of Catalysis. 366-374.
  • Giertz, Annika; Bassler, Margit; Bjorneholm, Olle; Wang, H.; Feifel, R.; Miron, C.; Karlsson, Leif; Svensson, Svante; Børve, Knut J.; Sæthre, Leif J. 2002. High Resolution C1s and S2p Photoelectron Spectra of Thiophene. Journal of Chemical Physics. 7587-7592.
  • Carroll, Thomas X.; Børve, Knut J.; Sæthre, Leif J; Bozek, John D.; Kukk, Edwin; Hahne, Jeff; Thomas, T. Darrah. 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.
  • Karlsen, Tor; Sæthre, Leif J; Børve, Knut J.; Berrah, N.; Kukk, Edwin; Carroll, Thomas X.; Thomas, T. Darrah. 2001. Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of ethane and deuteroethane. Journal of Physical Chemistry A. 7700-7706.
  • Espelid, Øystein; Børve, Knut J. 2001. Theoretical Analysis of d-d Spectra of the Reduced Cr/Silica System. Catalysis Letters. 49-56.
  • Karlsen, Tor; Børve, Knut J.; Sæthre, Leif J. 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.
  • Sæthre, Leif J; Berrah, Nora; Bozek, John D.; Børve, Knut J.; Carroll, Thomas X.; Kukk, Edwin; Gard, Gary L.; Winter, Rolf; Thomas, T. Darrah. 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.
  • Jensen, Vidar Remi; Børve, Knut J. 2001. A theoretical investigation of bis(imido)chromium(VI) cations as polymerization catalysts. Organometallics. 616-626.
  • Børve, Knut J.; Sæthre, Leif J; Bozek, J.D.; Carroll, T.X.; Thomas, T.D. 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.
  • Bassler, M.; Giertz, A.; Børve, Knut J.; Sæthre, Leif J; Svensson, S. 2000. Thiophene Photoelectron Spectra in the Gas Phase. MAX-lab Activity Report. 172-173.
  • Espelid, Øystein; Børve, Knut J. 2000. Theoretical Models of Ethylene Polymerization over a Mononuclear Chromium(II)/Silica Site. Journal of Catalysis. 125-139.
  • Karlsen, Tor; Børve, Knut J. 2000. Evidence of Fermi Resonance in Core-ionized Methane. Journal of Chemical Physics. 7986-7991.
  • Børve, Knut J.; Thomas, T.D. 2000. Calculation of Initial-State Effects on Inner-Shell Ionization Energies. Journal of Electron Spectroscopy and Related Phenomena. 155-161.
  • Jensen, Vidar Remi; Angermund, K.; Jolly, P.W.; Børve, Knut J. 2000. Activity of Homogenous Cromium(III)-Based Alkene Polymerization Catalysts: The Lack of Importance of the Barrier to Ethylene Insertion. Organometallics. 403-410.
  • Karlsen, Tor; Børve, Knut J. 2000. Accurate and Approximate Calculations of Franck-Condon Intensities in the Carbon 1s Photoelectron Spectrum of Methane. Journal of Chemical Physics. 7979-7985.
  • Doudin, K.; Berge, Rolf Kristian; Børve, Knut; Skogstad, J.; Törnroos, Karl Wilhelm. 2000. 2,2'-Selenobis(acetic acid), Se(CH2C(o)OH)2: an old compound with a novel structure. Journal of Molecular Structure. 149-161.
  • Børve, Knut; Thomas, T. Darrah. 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.
  • Børve, Knut; Sæthre, Leif J; Svensson, Svante. 1999. Molecular-field splitting in Scl2 and S(CH3)2. Chemical Physics Letters. 439-444.
  • Børve, Knut; Sæthre, Leif J; Bozek, John D.; True, Jan; Thomas, T. Darrah. 1999. Molecular-field splitting and vibrational structure in the phosphorus 2p photoelectron spectrum of PF3. Journal of Chemical Physics. 4472-4477.
  • Todnem, Kjetil; Børve, Knut; Nygren, Martin. 1999. Molecular adsorption of methane and methyl onto MgO(100). An embedded-cluster study. Surface Science. 296-307.
  • Børve, Knut; Espelid, Øystein; Jensen, Vidar Remi. 1998. Structure and thermodynamics of Gaseous Oxides, Hydroxides and mixed Oxo-hydroxides of Chromium, CrOm/(OH)n. Journal of Physical Chemistry A. 10414-10423.
  • Jensen, Vidar Remi; Børve, Knut. 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.
  • Jensen, Vidar Remi; Børve, Knut. 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.
  • Børve, Knut; Jensen, Vidar Remi; Karlsen, Tor; Støvneng, Jon-Andreas; Swang, Ole. 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.
  • Espelid, Øystein; Børve, Knut. 1997. Accurate enthalpies of formation for CrX, X=O, OH, F.A computational study. Journal of Physical Chemistry A. 9449-9456.
  • Førland, Geir M.; Libnau, Fred Olav; Høiland, Harald; Børve, Knut. 1996. Self-association of medium chain alcohols in <EM>n</EM>-decane solutions. Journal of Applied Spectroscopy. 1264-1272.
  • Børve, Knut. 1996. On the calculation of molecular field splitting in S2p photoelectron spectra. Chemical Physics Letters. 801-806.
  • Børve, Knut. 1996. On the calculation of molecular field splitting in S2p photoelectron spectra. Chemical Physics Letters. 801-806.
  • Siggel, M.R.F.; Field, C.; Sæthre, Leif J; Børve, Knut; Thomas, T.D. 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.
  • Børve, Knut; Jensen, Vidar Remi. 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.
  • Førland, Geir M.; Rahman, Tanizur; Høiland, Harald; Børve, Knut. 1996. Adsorption of sodium sulfate and butanol onto acidic and basic alumina. Journal of Colloid and Interface Science. 348-355.
  • Førland, Geir Martin; Rahman, Tamizur; Høiland, Harald; Børve, Knut. 1996. Adsorption of Sodium Dodecyl Sulfate and Butanol onto Acidic and Basic Alumina. Journal of Colloid and Interface Science. 348-355.
  • Førland, Geir Martin; Børve, Knut; Høiland, Harald; Skauge, Arne. 1994. Adsorption of Short Chain Alcohols from Decane Solutions onto Kaolinite. Journal of Colloid and Interface Science. 261-269.
  • Børve, Knut; Hansen, Jan Petter. 1993. On the cluster dependence of electron capture cross sections in ion-cluster collisions. Z. Phys. D.. 247-252.
  • Børve, Knut; Ebeltoft, H.; Sjøblom, J. 1993. Moderne Instrumentering i Overflate og Kolloidkjemi. I. Langmuir och Langmuir Blodgett Filmer. Kjemi. 6-9.
  • Børve, Knut; Hansen, Jan Petter. 1993. Electron capture from the light noble gases. Journal of Physics B: Atomic, Molecular and Optical Physics. 677-683.
  • Sjøblom, Johan; Urdahl, Olav; Børve, Knut; Mingyuan, L.; Sæten, J. O.; Christy, A. A.; Gu, T. 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.
Academic lecture
  • Winkler, Mathias; Harnes, Jarle; Abu-samha, Mahmoud; Børve, Knut J. 2015. The structure of mixed molecular clusters from photoelectron spectroscopy and computational modeling.
  • Børve, Knut J. 2014. CHEMICAL STRUCTURE FROM PHOTOELECTRON SPECTROSCOPY.
  • Børve, Knut J. 2013. Modeling of chemical effects in x-ray photoelectron spectroscopy.
  • Børve, Knut J. 2013. Insight to the structure of mixed clusters from core-level photoelectron spectroscopy and modeling.
  • Børve, Knut J. 2012. What is water? An answer from a chemist.
  • Børve, Knut J. 2012. Insight to hydrogen bonding from X-ray photoelectron spectroscopy and modeling.
  • Zahl, Maria Gundersen; Børve, Knut J.; Sæthre, Leif J. 2012. Accurate Carbon 1s Hole-state Lifetimes for Chlorinated Methanes.
  • Børve, Knut. 2011. Theoretical modeling of neutral weakly bound nanoparticles and their core-level spectra.
  • Minenkov, Yury; Børve, Knut; Occhipinti, Giovanni; Jensen, Vidar Remi. 2010. The nature of the barrier to phosphine dissociation from Grubbs olefin metathesis catalysts.
  • Winkler, Mathias; Bergersen, Henrik; Abu-Samha, Mahmoud Ahmad M.; Harnes, Jarle; Lindblad, Andreas; Sæthre, Leif J; Børve, Knut J. 2009. Neutral Binary Cluster of CF4/CH4 Studied by X-ray Photoelectron Spectroscopy.
  • Holme, Alf; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 2009. Accurate Calculation of Chemical Shifts in Carbon 1s Ionization Energies.
  • Børve, Knut J. 2008. Theoretical and electron-spectroscopy studies of molecular clusters.
  • Winkler, Mathias; Bergersen, Henrik; Abu-Samha, Mahmoud Ahmad M.; Harnes, Jarle; Lindblad, Andreas; Sæthre, Leif J; Børve, Knut J. 2008. Neutral Binary Clusters of CF4/CH4 Studied by X-ray Photoelectron Spectroscopy.
  • Harnes, Jarle; Winkler, Mathias; Andreas, Lindblad; Abu-Samha, Mahmoud Ahmad M.; Børve, Knut J.; Sæthre, Leif J. 2008. Learning about Neutral Free CS2 Clusters.
  • Børve, Knut J. 2008. Free one- and two-component molecular clusters.
  • Holme, Alf; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 2008. Carbon 1s Photoelectron Spectroscopy of Conformational Isomers.
  • Holme, Alf; Zahl, Maria Gundersen; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 2008. Accurate calculation of C1s ionization energy shifts and vibrational structures.
  • Børve, Knut J. 2007. Studies of molecular clusters.
  • Børve, Knut J. 2007. Structure of molecular nanodroplets.
  • Harnes, Jarle; Abu-Samha, Mahmoud Ahmad M.; Winkler, Mathias; Sæthre, Leif J; Børve, Knut J. 2007. Single-component CH3Br and CH3Cl clusters: Intermolecular interactions and structure studied by photoelectron spectroscopy and modeling.
  • Børve, Knut J. 2007. Photoelectron spectroscopy and molecular modeling - an old couple revitalized.
  • Børve, Knut J.; Sparta, Manuel; Loboda, Oleksandr; Jensen, Vidar Remi. 2007. Metal-ligand bond energies in eta-2-bonded metallofullerenes and metalloethylenes.
  • Børve, Knut J. 2007. Insight to the structure of molecular clusters from XPS and theoretical modeling.
  • Holme, Alf; Sæthre, Leif J; Børve, Knut J. 2007. Conformational Isomers of 1-Pentyne from Carbon 1s Photoelectron Spectroscopy.
  • Børve, Knut J. 2007. Chemistry of Isolated and Aggregated Molecules - Present and Future Perspectives.
  • Sparta, Manuel; Børve, Knut J.; Jensen, Vidar Remi. 2007. Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory.
  • Sparta, Manuel; Børve, Knut J.; Jensen, Vidar Remi. 2007. Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory.
  • Myrseth, Velaug ; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 2006. The substituent effect of the methyl group in benzenes.
  • Myrseth, Velaug ; Sæthre, Leif J; Børve, Knut J.; Thomas, T. Darrah. 2006. The substituent effect of the methyl group.
  • Jensen, Vidar Remi; Sparta, Manuel; Børve, Knut J. 2006. Substitutional Metallofullerenes of the d-Block Metals.
  • Børve, Knut J.; Lillehaug, Sindre. 2006. Structural and mechanistic insight by way of theory: Catalytic properties of chromium on amorphous silica.
  • Børve, Knut J. 2006. Exploring molecular clusters by means of theory-assisted electron spectroscopy.
  • Abu-samha, Mahmoud; Børve, Knut J. 2006. Evidence of hydrogen bonding in inner-shell photoelectron spectra of methanol clusters.
  • Abu-samha, Mahmoud; Børve, Knut J.; Sæthre, Leif J; Bergersen, Henrik. 2006. Evidence of H-Bonding in Inner-shell Photoelectron Spectra of Methanol Clusters.
  • Myrseth, Velaug ; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 2006. Carbon 1s ionization energies and proton affinities of six-membered cyclic hydrocarbons.
  • Andersen, T.H.; Gundersen, Maria; Svenum, I.-H.; Børve, Knut J.; Borg, Anne; Sæthre, Leif J. 2006. Adsorption of 1,1-dichloroethene on the Si(111)-7x7 surface.
  • Bergersen, Henrik; Björneholm, Olle; Svensson, Svante; Sæthre, Leif J; Børve, Knut J. 2005. XPS lineshape modeling of free neutral clusters.
  • Bergersen, Henrik; Björneholm, Olle; Svensson, Svante; Sæthre, Leif J; Børve, Knut J. 2005. XPS lineshape modeling for size determination of free neutral clusters.
  • Børve, Knut J. 2005. Theoretical modeling of x-ray photoelectron spectroscopy.
  • Abu-samha, Mahmoud; Sæthre, Leif J; Børve, Knut J. 2005. Structure of liquid methanol - with implications for the C1s photoelectron spectrum.
  • Abu-samha, Mahmoud; Børve, Knut J. 2005. Structure of Liquid Methanol – with Implications for the C1s Photoelectron Spectrum.
  • Sæthre, Leif J; Thomas, T. Darrah; Børve, Knut J.; Gundersen, Maria; Kukk, Edwin. 2005. Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene.
  • Sæthre, Leif J; Thomas, T. Darrah; Børve, Knut J.; Gundersen, Maria; Kukk, Edwin. 2005. Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene.
  • Jensen, Vidar Remi; Sparta, Manuel; Børve, Knut J. 2005. DFT-based screening of structure and stability of transition metal–doped fullerenes.
  • Sparta, Manuel; Jensen, Vidar Remi; Børve, Knut J. 2005. DFT-based screening of structure and stability of substitutionally doped metallofullerenes.
  • Lillehaug, Sindre; Børve, Knut J. 2005. A Theoretical Study of the Dehydrogenation of Ethane over Cr/oxide Catalysts.
  • Ladadweh, Mahmoud; Bergersen, Henrik; Sæthre, Leif J; Børve, Knut. 2004. Toward theoretical lineshape models of atomic and molecular clusters.
  • Børve, Knut. 2004. Theoretical tools for interpreting high-resolution inner-shell electron spectroscopy.
  • Børve, Knut. 2004. Presentasjon av katalyse- og elektronspektroskopigruppa i Bergen.
  • Børve, Knut. 2004. Exploring the properties of chromium on amorphous silica by means of theory.
  • Børve, Knut J. 2003. Theoretical tools for interpreting high-resolution inner-shell photoelectron spectra of molecules.
  • Børve, Knut J. 2003. Mechanistic studies of some chromium-based catalytic systems - by way of theory.
  • Børve, Knut J. 2002. Quantum chemical modeling of homogeneous and heterogeneous chromium-based catalysis.
  • Børve, Knut J. 2002. Grunnundervisning i kjemi.
  • Børve, Knut J. 2002. Fine structure in C1s photoelectron spectra.
  • Lillehaug, Sindre; Børve, Knut J. 2002. Catalytic dehydrogenation of ethane over Cr/silica.
  • Espelid, Øystein; Børve, Knut J. 2001. Theoretical models of active sites at Cr/silica Phillips-type catalysts for ethylene polymerization.
  • Boitsov, Stepan; Børve, Knut J.; Rayyan, Saleh. A.M.; Songstad, Jon. 2001. Conductivity Studies in Benzotrifluoride.
  • Børve, Knut J. 2000. Catalytic olefin polymerization.
  • Børve, Knut. 1999. Theoretical problems in photoelectron spectroscopy.
  • Espelid, Øystein; Børve, Knut. 1999. Theoretical models of polymerization of ethylene over a Phillips catalyst.
  • Espelid, Øystein; Børve, Knut. 1999. Theoretical models of polymerization of ethylene over a Phillips catalyst.
  • Børve, Knut. 1999. Theoretical Studies of Chromium as a Polymerization Catalyst.
  • Karlsen, Tor; Børve, Knut; Sæthre, Leif J. 1999. Theoretical Analyses of Carbon 1s Photoelectron Spectra of Simple Alkanes.
  • Espelid, Øystein; Børve, Knut. 1998. Theoretical Modeling of Reaction Mechanisms on a Cluster Mimicking a Mononuclear Chromium site on the Phillips Catalyst.
  • Angermund, K.; Børve, Knut; Jensen, Vidar Remi; Jolly, P.W. 1998. The mechanism of chromium-catalysed polymerization: A theoretical study.
  • Angermund, K.; Børve, Knut; Jensen, Vidar Remi; Jolly, P.W. 1998. The mechanism of chromium-catalysed polymerization: A theoretical study.
  • Børve, Knut. 1998. Chain-growth on a (bis-imido)chromium(IV) complex.
  • Espelid, Øystein; Børve, Knut; Jensen, Vidar Remi. 1998. Bonding in Chromium oxides hydroxides and mixed oxo-hydroxides.
Book review
  • Børve, Knut J. 2002. Alan Vincent, Molecular Symmetry and Group Theory. 2nd ed. Kjemi.
  • Børve, Knut J. 2002. Alan Hinchliffe (ed.).Chemical Modelling. Applications and Theory. Volume 1. Kjemi.
Popular scientific article
  • Børve, Knut J. 2016. Rapport frå Division of Computational Chemistry og den 10. konferansen i EUCO-CC-serien. Kjemi. 16-18.
  • Børve, Knut J. 2012. Nanopartiklar, naturlegvis! Naturen. 174-184.
  • Børve, Knut J. 2012. La oss snakke om nanoteknologi! Naturen. 98-102.
  • Holme, Alf; Olsson, Elaine; Zahl, Maria Gundersen; Børve, Knut J. 2009. Tettleiksfunksjonalteori med meir. Kjemi. 4-5.
  • Grung, Bjørn; Børve, Knut J. 2005. Kunnskapsløftet - eit løft for kjemi? Kjemi.
  • Børve, Knut; Espelid, Øystein; Jensen, Vidar Remi; Swang, J.A. 1998. Molecular modeling of metal-catalyzd reactions. Kjemi. 22-27.
Feature article
  • Børve, Knut J. 2000. Bokmelding av Hinchliffe, A.: Chemical Modeling - From Atoms to Liquids. Kjemi.
  • Børve, Knut. 1997. Principles and Practice of Heterogeneous Catalysis. Kjemi. 9-10.
Doctoral dissertation
  • Abu-samha, Mahmoud. 2006. Lineshape models in inner-shell photoelectron spectra of free molecules and clusters.
  • Lillehaug, Sindre. 2006. A theoretical study of Cr/oxide catalysts for dehydrogenation of short alkanes.
  • Børve, Knut. 1991. Quantum chemical modeling of small molecules on solid surfaces.
Academic chapter/article/Conference paper
  • Zahl, Maria Gundersen; Myrseth, Velaug ; Holme, Alf; Sæthre, Leif J; Børve, Knut J. 2011. Is there a simple relationship between C1s ionization energies and hybridization? 2 pages.
  • Myrseth, Velaug ; Harnes, Jarle; Sæthre, Leif J; Børve, Knut J. 2011. C1s photoelectron spectroscopy and modeling of ethane clusters. 2 pages.
  • Holme, Alf; Sæthre, Leif J; Børve, Knut; Thomas, T. Darrah. 2010. Carbon 1s photoelectron spectroscopy as a tool in molecular conformational studies. 2 pages.
  • Harnes, Jarle; Winkler, Mathias; Abu-samha, Mahmoud; Lindblad, Andreas; Sæthre, Leif J; Børve, Knut. 2010. Carbon 1s photoelectron spectra of neutral CO2 clusters: Theoretical models applied to experimental spectra. 2 pages.
  • Abu-samha, Mahmoud; Børve, Knut J.; Winkler, Mathias; Harnes, Jarle; Sæthre, Leif J; Lindblad, Andreas; Bergersen, Henrik; Öhrwall, Gunnar; Björneholn, Olle; Svensson, Svante. 2009. The structure of small water clusters revealed by photoelectron spectroscopy. 2 pages.
  • Carroll, Thomas X.; Thomas, T. Darrah; Sæthre, Leif J; Børve, Knut J. 2009. Photoelectron spectroscopy of fluoromethylbenzenes. 2 pages.
  • Winkler, Mathias; Bergersen, Henrik; Abu-Samha, Mahmoud Ahmad M.; Harnes, Jarle; Lindblad, Andreas; Sæthre, Leif J; Børve, Knut J. 2008. XPS of neutral CF4 Clusters - Size vs. Chemical Shifts. 2 pages.
  • Abu-samha, Mahmoud; Børve, Knut J. 2008. Theoretical interpretation of the O1s photoelectron spectrum of medium-sized neutral water clusters. 2 pages.
  • Harnes, Jarle; Abu-Samha, Mahmoud Ahmad M.; Winkler, Mathias; Bergersen, Henrik; Sæthre, Leif J; Børve, Knut J. 2008. Neutral CH3Br clusters studied by inner-shell XPS and modeling: Assessment of the polarization-only model for cluster-to-monomer shifts. 2 pages.
  • Holme, Alf; Børve, Knut J.; Sæthre, Leif J; Thomas, T. D. 2008. 1-Pentyne Conformers from Carbon 1s Photoelectron Spectroscopy. 2 pages.
  • Myrseth, Velaug ; Sæthre, Leif J; Børve, Knut J.; Bergersen, Henrik; Carroll, Thomas X.; Thomas, T. Darrah. 2007. Photoelectron spectroscopy of substituted benzenes. 2 pages.
  • Thomas, T. Darrah; Sæthre, Leif J; Børve, Knut J. 2007. Effects of Molecular Conformation on Inner-shell Ionization Energies. 3 pages.
  • Andersen, Trine Højberg; Svenum, Ingeborg-Helene; Frafjord, Øyvind; Borg, Anne; Gundersen, Maria; Sæthre, Leif J.; Børve, Knut J. 2005. Adsorption of 1,1-dichloroethene on the Si(111)-7x7 surface. 2 pages.
  • Abu-samha, Mahmoud; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 2004. Preliminary investigation of conformational effects in the C1s photoelectron spectrum of ethanol. 2 pages.
  • Børve, Knut J.; Espelid, Øystein. 2002. Theoretical Models of Active Sites: General Considerations and Application to the Study of Phillips-Type Cr/Silica Catalysts for Ethylene Polymerization. 28 pages.
  • Berrah, Nina; Børve, Knut; Bozek, John; Carroll, Thomas X.; Hahne, Jeff; Kukk, Edwin; Sæthre, Leif J; Thomas, T.D. 1999. High-Resolution Carbon Is Photoelectron Spectrum of Small Molecules. 1 pages.
  • Sjøblom, Johan; Børve, Knut. 1992. Recent Advances in Improved Oil Recovery Methods for North Sea Sandstone Resevoirs. (S. M. Skjæveland og J. Kleppe, eds.). 3 pages.
Abstract
  • Bergersen, Henrik; Abu-Samha, Mahmoud Ahmad M.; Lindblad, Andreas; Marinho, Ricardo R.T.; Ceolin, Denis; Öhrwall, Gunnar; Sæthre, Leif J; Tchaplyguine, Maxim; Børve, Knut J.; Svensson, Svante; Björneholm, Olle. 2007. First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters. Journal of Electron Spectroscopy and Related Phenomena. LXVI-LXVII.
  • Børve, Knut J. 2007. Exploring molecular clusters by means of theory-assisted electron spectroscopy. Journal of Electron Spectroscopy and Related Phenomena. XXIII-XXIV.
Academic literature review
  • Sparta, Manuel; Børve, Knut J.; Jensen, Vidar Remi. 2007. Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory. 8487-8499.

More information in national current research information system (CRIStin)

 

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" Accepted for publication in J. Am. Chem. Soc. (2011).

77.    L. J. Sæthre, K. J. Børve and T. D. Thomas, Chemical shifts of carbon 1s ionization energies, J. Electron Spectrosc. Rel. Phen. (2010) doi:10.1016/j.elspec.2010.03.002 

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.