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

 

 

Rapporter/avhandlinger
  • 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. Photon-energy dependent oscillations of carbon 1s photoelectron intensities in 2-butyne. MAX-lab National Laboratory, Lund, Sweden. 2 sider.
  • Holme, Alf; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 2013. Conformational information for 1-butene from its C1s photoelectron spectrum. MAX-lab National Laboratory, Lund, Sweden. 2 sider.
  • Holme, Alf; Sæthre, Leif J; Børve, Knut J.; Thomas, T. Darrah. 2013. Chemical reactivity of alkenes and alkynes from carbon 1s ionization energies and theory. MAX-lab National Laboratory, Lund, Sweden. 2 sider.
  • Harnes, Jarle; Abu-samha, Mahmoud; Bergersen, Henrik; Winkler, Mathias; Lindblad, Andreas; Sæthre, Leif J; Björneholm, Olle; Børve, Knut J. 2012. Core-level photoelectron spectroscopy of binary methanol/chloroform clusters. MAX-lab National Laboratory, Lund, Sweden. 2 sider.
  • Harnes, Jarle; Winkler, Mathias; Lindblad, Andreas; Sæthre, Leif J; Børve, Knut J. 2012. Size of CO2 clusters from C1s photoelectron spectra. Max-lab, National Laboratory, Lund, Sweden. 2 sider.
  • Holme, Alf; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 2012. Evaluation of calculated chemical shifts in carbon 1s ionization energies using single-reference ab initio methods. MAX-lab National Laboratory, Lund, Sweden. 2 sider.
  • Abu-samha, Mahmoud; Børve, Knut J.; Sæthre, Leif J; Thomas, T. Darrah. 2005. Preliminary investigation of conformational effects in the C1s photoelectron spectrum of ethanol. MAX-lab Activity Report. 2004: pp 168-169. MAX-lab National Laboratory, Lund, Sweden. 442 sider.
  • Carroll, Thomas X.; Thomas, T. Darrah; Bergersen, Henrik; Gundersen, Maria; Børve, Knut J.; Sæthre, Leif J. 2005. Carbon 1s Photoelectron Spectra of Fluorobenzenes. MAX-lab Activity Report. 2004: pp 174-175. MAX-lab National Laboratory, Lund University, Lund, Sweden. 442 sider.
  • 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 Butadiene and Pentadiene. MAX-lab Activity Report. 2004: pp 212-213. MAX-lab National Laboratory, Lund Unversity, Lund, Sweden. 442 sider.
  • Ladadweh, Mahmoud; Holme, Alf; Thomas, T. Darrah; Sæthre, Leif J; Børve, Knut J. 2003. Evidence of Conformational Effects in Carbon 1s Photoelectron Spectra. MAX-lab Activity Report. National laboratory, Lund University, Lund, Sweden. 2 sider.
  • Børve, Knut. 1991. Quantum chemical modeling of small molecules on solid surfaces. Department of chemistry, University of Bergen, Bergen. 1 sider.
Bokkapitler
  • Myrseth, Velaug; Harnes, Jarle; Sæthre, Leif J; Børve, Knut J. 2011. C1s photoelectron spectroscopy and modeling of ethane clusters. I411, sider 194-195. I:
    • Johansson, Ulf; Lilja, Karin; Nyberg, Annika; Nyholm, Ralf. 2011. MAX-lab Activity Report 2010. MAX-lab, Lund. 593 sider.
  • 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? I411, sider 210-211. I:
    • Johansson, Ulf; Lilja, Karin; Nyberg, Annika; Nyholm, Ralf. 2011. MAX-lab Activity Report 2010. MAX-lab, Lund. 593 sider.
  • 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. Beamline I411, sider 174-175. I:
    • Johansson, Ulf; Nyberg, Annika; Nyholm, Ralf. 2010. MAX-lab Activity Report 2009. MAX-lab, Lund. 544 sider.
  • Holme, Alf; Sæthre, Leif J; Børve, Knut; Thomas, T. Darrah. 2010. Carbon 1s photoelectron spectroscopy as a tool in molecular conformational studies. Beamline I411, sider 178-179. I:
    • Johansson, Ulf; Nyberg, Annika; Nyholm, Ralf. 2010. MAX-lab Activity Report 2009. MAX-lab, Lund. 544 sider.
  • 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. Synchrotron Radiation - Beamline I411, sider 172-173. I:
    • Johansson, U.; Nyberg, A.; Nyholm, R.; Ullman, H. 2009. MAX-lab Activity Report 2008. MAX-lab Activity Report. 2008. MAX-lab, MAX-lab, Lund, Sweden. 554 sider.
  • Carroll, Thomas X.; Thomas, T. Darrah; Sæthre, Leif J; Børve, Knut J. 2009. Photoelectron spectroscopy of fluoromethylbenzenes. Synchrotron radiation - Beamline I411, sider 178-179. I:
    • Johansson, U.; Nyberg, A.; Nyholm, R.; Ullman, H. 2009. MAX-lab Activity Report 2008. MAX-lab Activity Report. 2008. MAX-lab, MAX-lab, Lund, Sweden. 554 sider.
  • Abu-samha, Mahmoud; Børve, Knut J. 2008. Theoretical interpretation of the O1s photoelectron spectrum of medium-sized neutral water clusters. Article, sider 176-177. I:
    • Johansson, Ulf; Nyberg, Annika; Nyholm, Ralf; Ullman, Helena. 2008. MAX-lab Activity Report 2007. MAX-lab, Lund, Sverige. 482 sider.
  • 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. Synchrotron Radiation - Beamline I411, sider 184-185. I:
    • Johansson, Ulf; Nyberg, Annika; Nyholm, Ralf; Ullman, Helena. 2008. MAX-lab Activity Report 2007. MAX-lab, Lund, Sverige. 482 sider.
  • Holme, Alf; Børve, Knut J.; Sæthre, Leif J; Thomas, T. D. 2008. 1-Pentyne Conformers from Carbon 1s Photoelectron Spectroscopy. Beamline I411, sider 186-187. I:
    • Johansson, Ulf; Nyberg, Annika; Nyholm, Ralf; Ullman, Helena. 2008. MAX-lab Activity Report 2007. MAX-lab, Lund, Sverige. 482 sider.
  • 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. Beamline 411, sider 224-225. I:
    • Johansson, Ulf; Nyberg, Annika; Nyholm, Ralf; Ullman, Helena. 2008. MAX-lab Activity Report 2007. MAX-lab, Lund, Sverige. 482 sider.
  • Abu-Samha, Mahmoud Ahmad M.; Børve, Knut J.; Sæthre, Leif J; Gunnar, Öhrwall; Bergersen, Henrik; Rander, Torbjørn; Björneholm, Olle; Tchaplyguine, Maxim. 2007. Insight to methanol clusters from core-level spectroscopy and theoretical modelling. Report from research, sider 208-209. I:
    • Johansson, U.; Nyberg, A.; Nyholm, R.; Ullman, H. 2007. MAX-lab Activity Report 2005-2006 National Laboratory, Lund, Sweden. Lund University, Lund, Sweden. 532 sider.
  • Bergersen, Henrik; Abu-Samha, Mahmoud Ahmad M.; Andreas, Lindblad; Marinho, R. T. T.; Ceolin, D.; Gunnar, Öhrwall; Sæthre, Leif J; Tchaplyguine, M; Børve, Knut J.; Svensson, Svante; Björneholm, Olle. 2007. First Observation of vibrations in core-level photoelectron spectra of free, neutral molecular clusters. Report from research, sider 214. I:
    • Johansson, U.; Nyberg, A.; Nyholm, R.; Ullman, H. 2007. MAX-lab Activity Report 2005-2006 National Laboratory, Lund, Sweden. Lund University, Lund, Sweden. 532 sider.
  • Bergersen, Henrik; Abu-Samha, Mahmoud Ahmad M.; Andreas, Lindblad; Marinho, R. T. T.; Gunnar, Öhrwall; Sæthre, Leif J; Tchaplyguine, Maxim; Børve, Knut J.; Svensson, Svante; Björneholm, Olle. 2007. Two Size Regimes of Methanol Clusters Produced by Adiabatic Expansion. Report from research, sider 216-217. I:
    • Johansson, U.; Nyberg, A.; Nyholm, R.; Ullman, H. 2007. MAX-lab Activity Report 2005-2006 National Laboratory, Lund, Sweden. Lund University, Lund, Sweden. 532 sider.
  • Myrseth, Velaug; Sæthre, Leif J; Børve, Knut J.; Bergersen, Henrik; Carroll, Thomas X.; Thomas, T. Darrah. 2007. Photoelectron spectroscopy of substituted benzenes. Forskningsrapport, sider 236-237. I:
    • Johansson, U.; Nyberg, A.; Nyholm, R.; Ullman, H. 2007. MAX-lab Activity Report 2005-2006 National Laboratory, Lund, Sweden. Lund University, Lund, Sweden. 532 sider.
  • Thomas, T. Darrah; Sæthre, Leif J; Børve, Knut J. 2007. Effects of Molecular Conformation on Inner-shell Ionization Energies. Forskningsrapport, sider 254-256. I:
    • Johansson, U.; Nyberg, A.; Nyholm, R.; Ullman, H. 2007. MAX-lab Activity Report 2005-2006 National Laboratory, Lund, Sweden. Lund University, Lund, Sweden. 532 sider.
  • 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. p134, sider 134-135. I:
    • Andersen, Jesper N; Johansson, Ulf; Nyholm, Ralf; Ullman, Helena. 2005. MAX-lab Activity Report 2004. 442 sider.
  • 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. p168, sider 168-169. I:
    • Andersen, Jesper. 2004. MAX-lab Activity report 2003. MAX-lab Activity Report. 2003. MAX-lab national laboratory. 414 sider.
  • Bergersen, Henrik; Ladadweh, Mahmoud; Børve, Knut. 2004. Lineshapes in inner-shell photoelectron spectra of argon clusters. Contribution, sider 172-173. I:
    • Andersen, Jesper. 2004. MAX-lab Activity report 2003. MAX-lab Activity Report. 2003. MAX-lab national laboratory. 414 sider.
  • Myrseth, Velaug; Børve, Knut; Sæthre, Leif J; Thomas, T. Darrah. 2004. Torsional effects in the core-photoelectron spectrum of o-xylene. Contribution, sider 198-199. I:
    • Andersen, Jesper. 2004. MAX-lab Activity report 2003. MAX-lab Activity Report. 2003. MAX-lab national laboratory. 414 sider.
  • 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. 85-112. I:
    • Scott, Susannah L.; Crudden, Cathleen M.; Jones, Christopher W. 2002. Nanostructured Catalysts. ISBN: 0-306-47484-0.
  • 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. . I:
    • [Mangler etternavn], [Mangler fornavn]. 1999. The Advanced Light Source Compendium.
  • Sjøblom, Johan; Børve, Knut. 1992. Recent Advances in Improved Oil Recovery Methods for North Sea Sandstone Resevoirs. (S. M. Skjæveland og J. Kleppe, eds.). 5-7. I:
    • [Mangler etternavn], [Mangler fornavn]. 1992. [Mangler tittel].

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.