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

 

Lecture

• Knut J. Børve (2008). Education in nanoscience and technology @ University of Bergen. (external link)
• Knut J. Børve (2008). Molekyl og Nanodråpar i røntgenlys og under teori-lupa. (external link)
• Knut Børve (1997). Ethylene polymerization using homogeneous Cr(III) and Cr(VI) catalysts: A quantum chemical approach. (external link)
• Knut J. Børve (2008). Molekyl i røntgenlys. (external link)
• Knut Børve; Øystein Espelid (1998). Ongoing work towards an understanding of the Phillips catalyst. (external link)
• Knut J. Børve (2012). Storm i eit vatnglas - om over 100 års forskning på vatnet sin struktur. (external link)
• Knut J. Børve (2007). Gerhard Ertl – Nobelprisen i kjemi for sine studier av “chemical processes at solid surfaces.”. (external link)
• Knut Børve (1999). Katalyse og katalysatorar. (external link)
• Knut J. Børve (2008). Nano activities in the “Quantum Chemistry Group”. (external link)
• Knut J. Børve (2013). Nanovitskap ved UiB - Forskning og utdanning. (external link)

Academic book chapter

• Trine Højberg Andersen; Ingeborg-Helene Svenum; Øyvind Frafjord et al. (2005). Adsorption of 1,1-dichloroethene on the Si(111)-7x7 surface. (external link)
• Johan Sjøblom; Knut Børve (1992). Recent Advances in Improved Oil Recovery Methods for North Sea Sandstone Resevoirs. (S. M. Skjæveland og J. Kleppe, eds.). (external link)
• Maria Gundersen Zahl; Velaug Myrseth; Alf Holme et al. (2011). Is there a simple relationship between C1s ionization energies and hybridization?. (external link)
• T. Darrah Thomas; Leif J Sæthre; Knut J. Børve (2007). Effects of Molecular Conformation on Inner-shell Ionization Energies. (external link)
• Mahmoud Abu-samha; Knut J. Børve; Leif J Sæthre et al. (2004). Preliminary investigation of conformational effects in the C1s photoelectron spectrum of ethanol. (external link)
• Knut J. Børve; Øystein Espelid (2002). Theoretical Models of Active Sites: General Considerations and Application to the Study of Phillips-Type Cr/Silica Catalysts for Ethylene Polymerization. (external link)
• Nina Berrah; Knut Børve; John Bozek et al. (1999). High-Resolution Carbon Is Photoelectron Spectrum of Small Molecules. (external link)
• Thomas X. Carroll; T. Darrah Thomas; Leif J Sæthre et al. (2009). Photoelectron spectroscopy of fluoromethylbenzenes. (external link)
• Alf Holme; Knut J. Børve; Leif J Sæthre et al. (2008). 1-Pentyne Conformers from Carbon 1s Photoelectron Spectroscopy. (external link)
• Mahmoud Abu-samha; Knut J. Børve; Mathias Winkler et al. (2009). The structure of small water clusters revealed by photoelectron spectroscopy. (external link)
• Mahmoud Abu-samha; Knut J. Børve (2008). Theoretical interpretation of the O1s photoelectron spectrum of medium-sized neutral water clusters. (external link)
• Jarle Harnes; Mahmoud Ahmad M. Abu-Samha; Mathias Winkler et al. (2008). Neutral CH3Br clusters studied by inner-shell XPS and modeling: Assessment of the polarization-only model for cluster-to-monomer shifts. (external link)
• Velaug Myrseth; Jarle Harnes; Leif J Sæthre et al. (2011). C1s photoelectron spectroscopy and modeling of ethane clusters. (external link)
• Jarle Harnes; Mathias Winkler; Mahmoud Abu-samha et al. (2010). Carbon 1s photoelectron spectra of neutral CO2 clusters: Theoretical models applied to experimental spectra. (external link)
• Alf Holme; Leif J Sæthre; Knut Børve et al. (2010). Carbon 1s photoelectron spectroscopy as a tool in molecular conformational studies. (external link)
• Mathias Winkler; Henrik Bergersen; Mahmoud Ahmad M. Abu-Samha et al. (2008). XPS of neutral CF4 Clusters - Size vs. Chemical Shifts. (external link)
• Velaug Myrseth; Leif J Sæthre; Knut J. Børve et al. (2007). Photoelectron spectroscopy of substituted benzenes. (external link)

Doctoral thesis (PhD)

• Mathias Winkler; Knut J. Børve (2015). Radial Structure and Electron Transport in Weakly-Bonded Clusters. (external link)
• Mahmoud Abu-samha; Knut J. Børve; Leif J Sæthre (2006). Lineshape Models in Inner-shell Photoelectron Spectra of Free Molecules and Clusters. (external link)
• Maria Gundersen Zahl; Knut J. Børve; Leif J Sæthre (2015). Chlorine as a substituent – from quantum chemistry and photoelectron spectroscopy. (external link)
• Knut Børve (1991). Quantum chemical modeling of small molecules on solid surfaces. (external link)
• Eric Hajjar; Nathalie Reuter; Knut J. Børve (2007). Molecular modeling of the substrate specificity and of the membrane anchoring of Proteinase 3. (external link)
• Sindre Lillehaug; Knut J. Børve (2006). A Theoretical Study of Cr/oxide Catalysts for Dehydrogenation of Short Alkanes. (external link)

Conference poster

• Alf Holme; Leif J Sæthre; Knut J. Børve et al. (2009). Carbon 1s photoelectron spectroscopy as a tool in molecular conformational studies. (external link)
• Alf Holme; Velaug Myrseth; Knut J. Børve et al. (2002). Carbon 1s Photoelectron Spectra and Chemical Reactivity of Molecules with Double and Triple Bonds. (external link)
• Maria Gundersen Zahl; Knut J. Børve; Leif J Sæthre et al. (2007). Adsorption of 1,1-dichloroethene on the Si(111)-7x7 surface. (external link)
• Jarle Harnes; Mathias Winkler; Mahmoud Ahmad M. Abu-Samha et al. (2008). Large Polarization-induced cluster-to-monomer shifts in C1s XPS ionization energy of neutral CS2 Clusters. (external link)
• Velaug Myrseth Oltedal; Knut J. Børve; Leif J Sæthre et al. (2003). Carbon 1s photoelectron spectroscopy of six-carbon cyclic hydrocarbons. (external link)
• Alf Holme; Velaug Myrseth; Karoline Wiesner et al. (2003). Chemical Reactivity of Molecules with Double and Triple Bonds from Carbon 1s Photoelectron Spectra and Theory. (external link)
• A. Giertz; Knut J. Børve; Leif J Sæthre et al. (2000). Vibrationally Resolved X-ray Photoelectron Spectra of C1s and N1s in Hydrogen Syanide. (external link)
• Mathias Winkler; Jarle Harnes; Andreas Lindblad et al. (2009). A New Approach to Study Inelastic Scattering of Electrons in Free Nanoparticles. (external link)
• Mahmoud Ahmad M Abu-Samha; Knut J. Børve (2012). Photoelectron Spectroscopy of HCl dissociation in methanol clusters. (external link)
• Leif J Sæthre; Knut J. Børve; Tor Karlsen et al. (2002). The Spectrum of Free Polyethylene. Carbon 1s Spectroscopy of Linear Alkanes. (external link)
• Maria Gundersen Zahl; Knut J. Børve; Leif J Sæthre et al. (2007). Adsorption of 1,1-dichloroethene on the Si(111)-7x7 surface. (external link)
• Mahmoud Ladadweh; Alf Holme; T. Darrah Thomas et al. (2003). Evidence of Conformational Effects in Carbon 1s Photoelectron Spectra. (external link)
• Vidar Remi Jensen; Manuel Sparta; Oleksandr Loboda et al. (2005). DFT-based screening of structure and stability of transition-metal-doped fullerenes. (external link)
• Mathias Winkler; Henrik Bergersen; Mahmoud Ahmad M. Abu-Samha et al. (2007). Unraveling the Structure of Mixed CH4/CF4 Clusters. (external link)
• Leif J Sæthre; T. Darrah Thomas; Knut J. Børve et al. (2005). Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene. (external link)
• Tor Karlsen; Knut J. Børve; Leif J Sæthre et al. (2001). Toward the Spectrum of Free Polyethylene: Linear Alkanes Studied by Carbon 1s Photoelectron Spectroscopy and Theory. (external link)
• Alf Holme; Velaug Myrseth; Knut J. Børve et al. (2001). The Carbon 1s Photoelectron Spectra of 1-Hexyne, 2-Hexyne, and 3-Hexyne. (external link)
• Oksana Travnikova; Knut J. Børve; Minna Patanen et al. (2012). The ESCA Molecule. (external link)
• Velaug Myrseth; Jarle Harnes; Leif J Sæthre et al. (2010). Ethane clusters studied by carbon 1s photoelectron spectroscopy and modeling. (external link)
• Knut J. Børve; Trygve Helgaker; Vidar R. Jensen et al. (2004). Molecular modeling in nanotechnology. (external link)
• Knut J. Børve; Tor Karlsen; Leif J Sæthre et al. (2000). Molecular-field Splitting of 2p 3/2 Levels in Second-Row atoms. (external link)
• Jarle Harnes; Mathias Winkler; Mahmoud Ahmad M. Abu-Samha et al. (2009). Large polarization-induced cluster-to-monomer shifts in C1s XPS ionization energy of neutral of CS2 Clusters. (external link)
• Bente R. Stokkenes; Mahmoud Ahmad M Abu-Samha; Knut J. Børve et al. (2012). Photoelectron Spectroscopy and Modeling of Krypton Clusters. (external link)
• Velaug Myrseth; Knut J. Børve; Karoline Wiesner et al. (2002). Vibrationally Structure and Vibronic Coupling in the Carbon 1s Photoelectron Spectra of Benzene and Deuterobenzene. (external link)
• T.H. Andersen; Anne Borg; A. Ramachandran et al. (2007). Adsorption at the Pd(110) surface: 1,3-cyclohexadiene and 1,1-dichloroethene. (external link)
• Leif J Sæthre; T. Darrah Thomas; Knut J. Børve (2007). Effects of molecular conformation on inner-shell ionization energies. (external link)
• Knut J. Børve; Øystein Espelid; Sherin Al Falah et al. (2002). Active sites at Phillips-type Cr/silica catalysts for ethylene polymerization. (external link)
• Leif J Sæthre; T. Darrah Thomas; Knut J. Børve (2007). Effects of molecular conformation on inner-shell ionization energies. (external link)
• Ingvild Isaksen; Alf Holme; Leif J Sæthre et al. (2014). Hydrogen bonding from quantum chemistry and X-ray photoelectron spectroscopy. (external link)
• Mathias Winkler; Henrik Bergersen; Mahmoud Ahmad M. Abu-Samha et al. (2007). Unraveling the Structure of Mixed CH4/CF4 Clusters. (external link)
• Jarle Harnes; Mahmoud Ahmad M. Abu-Samha; Mathias Winkler et al. (2007). Single-component CH3Br and CH3Cl clusters - compared by electron spectroscopy and modeling. (external link)
• Velaug Myrseth; Jarle Harnes; Leif J Sæthre et al. (2010). Ethane clusters studied by carbon 1s photoelectron spectroscopy and modeling. (external link)
• Knut J. Børve; Vidar Remi Jensen (2000). What are the active components in recently suggested bis(imido)chromium(VI)catalysts for ethylene polymerization? A computational investigation. (external link)
• Knut J. Børve; T. Darrah Thomas; Thomas X. Carroll et al. (2000). Vibronic Structure in the Carbon 1s Photoelectron Spectra of HCCH and DCCD. (external link)
• Velaug Myrseth; Jarle Harnes; Leif J Sæthre et al. (2012). Ethane clusters studied by carbon 1s photoelectron spectroscopy and modeling. (external link)
• Leif J Sæthre; Alf Holme; Knut J. Børve et al. (2012). Chemical Reactivity of Alkenes and Alkynes from Carbon 1s Ionization Energies, Enthalpies of Protonation and Theory. (external link)
• Alf Holme; Leif J Sæthre; Knut J. Børve et al. (2009). Carbon 1s photoelectron spectroscopy as a tool in molecular conformational studies. (external link)
• T. Darrah Thomas; Leif J Sæthre; Knut J. Børve et al. (2003). Carbon 1s photoelectron spectroscopy of halomethanes. A probe of electronegativity and hardness. (external link)
• Tor Karlsen; Knut Børve (1999). Theoretical analysis of vibrational structures in the carbon 1s photoelectron spectrum of ethane. (external link)
• Sindre Lillehaug; Knut Børve; Marek Sierka et al. (2004). Catalytic Dehydrogenation of Ethane over Mononuclear Cr(III)Surface Sites on Silica. (external link)
• Manuel Sparta; Knut J. Børve; Vidar Remi Jensen (2006). Prediction of Structure and Stability of Networked Metallofullerenes of the Transition Metals. (external link)
• Tor Karlsen; Knut Børve; Vidar Remi Jensen (1997). Et kvantekjemisk studie av heterogen Ziegler-Natta polymerisering av eten. (external link)
• Oleksandr Loboda; Vidar Remi Jensen; Knut J. Børve (2005). Structural and electronic properties of exohedrally metal-doped fullerenes. (external link)
• T.H. Andersen; Anne Borg; I.-H. Svenum et al. (2005). Adsoption of 1,1-dichloroethene on Si(111)-7x7. (external link)
• Jarle Harnes; Mahmoud Ahmad M. Abu-Samha; Mathias Winkler et al. (2007). Single-component CH3Br and CH3Cl clusters - compared by electron spectroscopy and modeling. (external link)
• Velaug Myrseth; Knut J. Børve; Karoline Wiesner et al. (2001). Vibrational Structure and Vibronic Coupling in the Carbon 1s Photoelectron Spectra of Benzene and Deuterobenzene. (external link)
• Leif J Sæthre; Thomas X. Carroll; Maria Gundersen Zahl et al. (2013). Nonstoichiometric Carbon 1s Intensity Ratios in 2-Butyne. (external link)
• Peng Wang; Knut J. Børve; Leif J Sæthre (2017). Conformational distributions of linear alcohols from ab initio calculations. (external link)
• Mahmoud Ahmad M. Abu-Samha; Knut J. Børve; Lindblad Andreas et al. (2007). An electron spectroscopy and theoretical study of water clusters. (external link)
• Tor Karlsen; Knut Børve (1999). Theoretical analysis of vibrational structures in the carbon 1s photoelectron spectrum of methane. (external link)
• Øystein Espelid; Knut Børve (1999). Theoretical models of polymerization of ethylene over a Phillips catalyst. (external link)
• Alf Holme; Maria Gundersen Zahl; Leif J Sæthre et al. (2008). Accurate calculation of C1s ionization energy shifts and vibrational structure. (external link)
• Leif J Sæthre; T. Darrah Thomas; Knut Børve et al. (2004). Carbon 1s photoelectron spectroscopy of halomethanes. Effects of electronegativity, hardness, charge distribution, and relaxation. (external link)
• Manuel Sparta; Knut Børve; Vidar Remi Jensen (2004). Metal-doped nanostructures: Theoretical screening of fullerenes. (external link)
• Kjetil Todnem; Knut Børve; Martin Nygren (1997). A theoretical investigation of the adsorption of methane and methyl on MgO(100). (external link)
• Mathias Winkler; Henrik Bergersen; Jarle Harnes et al. (2007). Unraveling the Structure of Mixed CH4/CF4 Clusters. (external link)
• Velaug Myrseth; Knut J. Børve; Leif J Sæthre et al. (2005). Molecular reference spectra for use in adsorption studies. (external link)
• Jarle Harnes; Mahmoud Ahmad M. Abu-Samha; Mathias Winkler et al. (2007). Single-component CH3Br and CH3Cl clusters: -compared by electron spectroscopy and modeling. (external link)
• Velaug Myrseth Oltedal; Knut J. Børve; Leif J Sæthre et al. (2003). Carbon 1s photoelectron spectroscopy of six-carbon cyclic hydrocarbons. (external link)
• Trine Højberg Andersen; Anne Borg; Amutha Ramachandran et al. (2007). Adsorption at the Pd(110) surface: 1,3-cyclohexadiene and 1,1-dichloroethene. (external link)
• Tor Karlsen; Knut J. Børve; Leif J Sæthre (2000). Calculations of the molecular-field splitting of the sulfur 2p 3/2 level using second-order Møller-Plesset perturbation theory. (external link)

Academic article

• Knut Børve; Jan Petter Hansen (1993). On the cluster dependence of electron capture cross sections in ion-cluster collisions. (external link)
• Jarle Harnes; Mahmoud Ahmad M. Abu-Samha; Mathias Winkler et al. (2008). Neutral CH3Cl and CH3Br clusters studied by x-ray photoelectron spectroscopy and modeling: Insight to intermolecular interactions and structure. (external link)
• Oksana Travnikova; Minna Patanen; Johan Söderström et al. (2019). Energy-dependent relative cross sections in carbon 1s photoionization: Separation of direct shake and inelastic scattering effects in single molecules. (external link)
• Maria Gundersen Zahl; Leif J Sæthre; Thomas Darrah Thomas et al. (2018). Carbocation stability as predictor for electrophilic addition of HCl to chlorinated ethenes and propenes in the gas phase. (external link)
• Jarle Harnes; Mahmoud Ahmad M Abu-Samha; Mathias Winkler et al. (2015). Formation and growth of clusters of sulfur dioxide. (external link)
• Mauritz Johan Olof Ryding; Alexandre Giuliani; Minna Patanen et al. (2014). X-ray induced fragmentation of size-selected salt cluster-ions stored in an ion trap. (external link)
• Tor Karlsen; Knut J. Børve (2000). Accurate and Approximate Calculations of Franck-Condon Intensities in the Carbon 1s Photoelectron Spectrum of Methane. (external link)
• Mahmoud Abu-samha; Knut J. Børve; Leif J Sæthre et al. (2005). Conformational effects in inner-shell photoelectron spectroscopy of ethanol. (external link)
• Nils Mårtensson; Johan Söderström; Svante Svensson et al. (2013). On the relation between X-ray Photoelectron Spectroscopy and XAFS. (external link)
• Velaug Myrseth; Leif J Sæthre; Knut J. Børve et al. (2007). The substituent effect of the methyl group. Carbon 1s ionization energies, proton affinities, and reactivities of the methylbenzenes. (external link)
• Minna Patanen; Oksana Travnikova; Maria Gundersen Zahl et al. (2013). Laboratory-frame electron angular distributions: Probing the chemical environment through intramolecular electron scattering. (external link)
• Mahmoud Ahmad M Abu-Samha; Knut J. Børve (2014). HCl dissociation in methanol clusters from Ab initio molecular dynamics simulations and inner-shell photoelectron spectroscopy. (external link)
• Niklas Ottosson; Knut J. Børve; Daniel Spangberg et al. (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). (external link)
• Sindre Lillehaug; Vidar Remi Jensen; Knut J. Børve (2006). Catalytic dehydrogenation of ethane over mononuclear Cr(III) surface sites on silica. Part II. C–H activation by oxidative addition. (external link)
• Mahmoud Ahmad M. Abu-Samha; Knut J. Børve (2008). Surface relaxation in water clusters: Evidence from theoretical analysis of the oxygen 1s photoelectron spectrum. (external link)
• Henrik Bergersen; Mahmoud Ahmad M. Abu-Samha; Andreas Lindblad et al. (2006). First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters. (external link)
• Thomas X. Carroll; Knut J. Børve; Leif J Sæthre et al. (2002). Carbon 1s photoelectron spectroscopy of CF4 and CO. Search for chemical effects on the carbon 1s hole-state lifetime. (external link)
• Thomas X. Carroll; T. Darrah Thomas; Leif J Sæthre et al. (2009). Additivity of Substituent Effects. Core-Ionization Energies and Substituent Effects in Fluoromethylbenzenes. (external link)
• Thomas Darrah Thomas; Leif J Sæthre; Knut J. Børve (2007). Effects of molecular conformation on inner-shell ionization energies. (external link)
• Maria Gundersen Zahl; Knut J. Børve; Leif J Sæthre (2012). Carbon 1s photoelectron spectroscopy of the chlorinated methanes: Lifetimes and accurate vibrational lineshape models. (external link)
• K. Doudin; Rolf Kristian Berge; Knut Børve et al. (2000). 2,2'-Selenobis(acetic acid), Se(CH2C(o)OH)2: an old compound with a novel structure. (external link)
• Alf Holme; Knut J. Børve; Leif J Sæthre et al. (2013). Conformations and CH/π Interactions in Aliphatic Alkynes and Alkenes. (external link)
• Øystein Espelid; Knut J. Børve (2002). Theoretical Analysis of CO Adsorption on the Reduced Cr/Silica System. (external link)
• Knut Børve; Leif J Sæthre; Svante Svensson (1999). Molecular-field splitting in Scl2 and S(CH3)2. (external link)
• Kjetil Todnem; Knut Børve; Martin Nygren (1999). Molecular adsorption of methane and methyl onto MgO(100). An embedded-cluster study. (external link)
• Knut J. Børve; T.D. Thomas (2000). Calculation of Initial-State Effects on Inner-Shell Ionization Energies. (external link)
• M. Bassler; A. Giertz; Knut J. Børve et al. (2000). Thiophene Photoelectron Spectra in the Gas Phase. (external link)
• Vidar Remi Jensen; K. Angermund; P.W. Jolly et al. (2000). Activity of Homogenous Cromium(III)-Based Alkene Polymerization Catalysts: The Lack of Importance of the Barrier to Ethylene Insertion. (external link)
• Tor Karlsen; Knut J. Børve (2000). Evidence of Fermi Resonance in Core-ionized Methane. (external link)
• Sindre Lillehaug; Knut Børve (2004). Catalytic Dehydrogenation of Ethane over Mononuclear Cr(III) Surface Sites on Silica. Part I. C�H activation by σ-bond metathesis. (external link)
• Knut Børve; Vidar Remi Jensen (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. (external link)
• Velaug Myrseth Oltedal; Knut Børve; Leif J Sæthre et al. (2004). Carbon 1s photoelectron spectroscopy of six-carbon cyclic hydrocarbons. (external link)
• T. Darrah Thomas; Leif J Sæthre; Knut Børve et al. (2004). Carbon 1s photoelectron spectroscopy of halomethanes. Effects of electronegativity, hardness, charge distribution, and relaxation. (external link)
• Mahmoud Ahmad M. Abu-Samha; Knut J. Børve; Leif J Sæthre et al. (2006). Lineshapes in carbon 1s photoelectron spectra of methanol clusters. (external link)
• Vidar Remi Jensen; Knut Børve (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. (external link)
• Stacey L. Sörensen; Knut J. Børve; Raimund Feifel et al. (2008). The O 1s photoelectron spectrum of molecular oxygen revisited. (external link)
• Henrik Bergersen; Mahmoud Ahmad M. Abu-Samha; Andreas Lindblad et al. (2006). Two size regimes of methanol clusters produced by adiabatic expansion. (external link)
• Tor Karlsen; Knut J. Børve; Leif J Sæthre et al. (2002). Toward the spectrum of free polyethylene: Linear alkanes studied by carbon 1s photoelectron spectroscopy and theory. (external link)
• Mahmoud Ahmad M Abu-Samha; Knut J. Børve (2013). Effective attenuation length from core-level photoelectron spectroscopy of CS2 clusters. (external link)
• Oleksandr Loboda; Vidar Remi Jensen; Knut J. Børve (2006). Multiple additions of palladium to C-60. (external link)
• Mahmoud Abu-Samha; Mauritz Johan Olof Ryding; Einar Uggerud et al. (2017). Changing role of carrier gas in formation of ethanol clusters by adiabatic expansion. (external link)
• Alf Holme; Knut J. Børve; Leif J Sæthre et al. (2011). Accuracy of Calculated Chemical Shifts in Carbon 1s Ionization Energies from Single-Reference ab Initio Methods and Density Functional Theory. (external link)
• Thomas X. Carroll; Maria Gundersen Zahl; Knut J. Børve et al. (2013). Intensity oscillations in the carbon 1s ionization cross sections of 2-butyne. (external link)
• Vidar Remi Jensen; Knut J. Børve (2002). Reduction of chromium in ethylene polymerization using bis(imido)chromium(VI) catalyst precursors. (external link)
• Mahmoud Ahmad M. Abu-Samha; Knut J. Børve; Mathias Winkler et al. (2009). The local structure of small water clusters: imprints on the core-level photoelectron spectrum. (external link)
• Mathias Winkler; Jarle Harnes; Knut J. Børve (2013). Structure of self-assembled free methanol/tetrachloromethane clusters. (external link)
• Peng Wang; Thomas X. Carroll; T. Darrah Thomas et al. (2021). Calibration of oxygen 1s ionization energies. Accurate energies for CO2, H2O, CO, and O2. (external link)
• Øystein Espelid; Knut J. Børve (2000). Theoretical Models of Ethylene Polymerization over a Mononuclear Chromium(II)/Silica Site. (external link)
• Mathias Winkler; Knut J. Børve (2018). Attenuation of slow (10-40 eV) electrons in soft nanoparticles: Size matters in argon clusters. (external link)
• Oksana Travnikova; Knut J. Børve; Minna Patanen et al. (2012). The ESCA molecule-Historical remarks and new results. (external link)
• Øystein Espelid; Knut J. Børve (2002). Molecular-level insight into Cr/Silica Phillips-type catalysts. Polymerization-active dinuclear chromium sites. (external link)
• Leif J Sæthre; Nora Berrah; John D. Bozek et al. (2001). Chemical Insights from High-Resolution Photoelectron Spectroscopy and ab initio Theory: Propyne, Trifluoropropyne and Ethynylsulfur pentafluoride. (external link)
• Knut Børve; Vidar Remi Jensen; Tor Karlsen et al. (1997). Evaluation of PM3(tm ) as a geometry generator in theoretical studies of transition-metal based catalysts for polymerizing olefins. (external link)
• Geir M. Førland; Fred Olav Libnau; Harald Høiland et al. (1996). Self-association of medium chain alcohols in <EM>n</EM>-decane solutions. (external link)
• Geir M. Førland; Tanizur Rahman; Harald Høiland et al. (1996). Adsorption of sodium sulfate and butanol onto acidic and basic alumina. (external link)
• Geir Martin Førland; Tamizur Rahman; Harald Høiland et al. (1996). Adsorption of Sodium Dodecyl Sulfate and Butanol onto Acidic and Basic Alumina. (external link)
• Mahmoud Ahmad M. Abu-Samha; Knut J. Børve (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. (external link)
• Manuel Sparta; Knut J. Børve; Vidar Remi Jensen (2006). Structure and stability of networked metallofullerenes of the transition metals. (external link)
• Annika Giertz; Margit Bassler; Olle Bjorneholm et al. (2002). High Resolution C1s and S2p Photoelectron Spectra of Thiophene. (external link)
• Manuel Sparta; Vidar Remi Jensen; Knut J. Børve (2006). Structure and stability of substitutional metallofullerenes of the first-row transition metals. (external link)
• Thomas X. Carroll; T. Darrah Thomas; Henrik Bergersen et al. (2006). Fluorine as a pi donor. Carbon 1s photoelectron spectroscopy and proton affinities of fluorobenzenes. (external link)
• Knut Børve; H. Ebeltoft; J. Sjøblom (1993). Moderne Instrumentering i Overflate og Kolloidkjemi. I. Langmuir och Langmuir Blodgett Filmer. (external link)
• Alf Holme; Leif J Sæthre; Knut J. Børve et al. (2009). Carbon 1s photoelectron spectroscopy of 1-pentyne conformers. (external link)
• Knut Børve; Øystein Espelid; Vidar Remi Jensen (1998). Structure and thermodynamics of Gaseous Oxides, Hydroxides and mixed Oxo-hydroxides of Chromium, CrOm/(OH)n. (external link)
• Maria Gundersen Zahl; Velaug Myrseth; Trine Andersen et al. (2010). Molecular Spectra As a Tool in Assigning Carbon 1s Photoelectron Spectra of Physisorbed Overlayers. (external link)
• Mathias Winkler; Velaug Myrseth; Jarle Harnes et al. (2014). Electron attenuation in free, neutral ethane clusters. (external link)
• Knut J. Børve; Leif J Sæthre; J.D. Bozek et al. (2000). Vibronic Coupling in the Carbon 1s Photoelectron spectrum of HCCH and DCCD. (external link)
• Øystein Espelid; Knut Børve (1997). Accurate enthalpies of formation for CrX, X=O, OH, F.A computational study. (external link)
• Minna Patanen; Knut J. Børve; Jari A. Kettunen et al. (2012). Valence photoionization and photoelectron-photoion coincidence (PEPICO) study of molecular LiCl and Li2Cl2. (external link)
• Jarle Harnes; Mahmoud Ahmad M Abu-Samha; Henrik Bergersen et al. (2011). The structure of mixed methanol/chloroform clusters from core-level photoelectron spectroscopy and modeling. (external link)
• Øystein Espelid; Knut J. Børve (2001). Theoretical Analysis of d-d Spectra of the Reduced Cr/Silica System. (external link)
• Vidar Remi Jensen; Knut J. Børve (2001). A theoretical investigation of bis(imido)chromium(VI) cations as polymerization catalysts. (external link)
• Tor Karlsen; Knut J. Børve; Leif J Sæthre (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. (external link)
• Leif J Sæthre; Knut Børve; T. Darrah Thomas (2011). Chemical shifts of carbon 1s ionization energies. (external link)
• Knut Børve (1996). On the calculation of molecular field splitting in S2p photoelectron spectra. (external link)
• Mahmoud Ahmad M. Abu-Samha; Knut J. Børve; Jarle Harnes et al. (2007). What can c1s photoelectron Spectroscopy tell about structure and bonding in clusters of methanol and methyl chloride?. (external link)
• Annika Giertz; Knut J. Børve; Margit Bassler et al. (2002). Vibrationally Resolved Photoelectron Spectra of the Carbon 1s and Nitrogen 1s Shells in Hydrogen Cyanide. (external link)
• Velaug Myrseth; Knut J. Børve; Leif J Sæthre et al. (2002). Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of benzene and deuterobenzene. (external link)
• Manuel Sparta; Vidar Remi Jensen; Knut J. Børve (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. (external link)
• Knut Børve; Jan Petter Hansen (1993). Electron capture from the light noble gases. (external link)
• Alf Holme; Leif J Sæthre; Knut J. Børve et al. (2012). Chemical reactivity of alkenes and alkynes as seen from activation energies, enthalpies of protonation, and carbon 1s ionization energies. (external link)
• Johan Söderström; Nils Mårtensson; Oksana Travnikova et al. (2012). Nonstoichiometric Intensities in Core Photoelectron Spectroscopy. (external link)
• Mathias Winkler; Jarle Harnes; Knut J. Børve (2011). Structure of Neutral Nanosized Clusters Produced by Coexpansion of CF4 and CH4. (external link)
• Johan Sjøblom; Olav Urdahl; Knut Børve et al. (1992). Stabilization and Destabilization of Water-in-crude Oil Emulsions from the Norwegian Continental Shelf. Correlation with Model Systems. (external link)
• Øystein Espelid; Knut J. Børve (2002). Molecular-Level Insight into Cr/Silica Phillips’ type Catalysts. Polymerization-Active Mononuclear Chromium Sites. (external link)
• O Travnikova; D Ceolin; Z Bao et al. (2010). Selective vibrational excitation in the resonant Auger decay following core-to-pi transitions in N2O. (external link)
• Trine Højberg Andersen; Maria Gundersen Zahl; Ingeborg-Helene Svenum et al. (2007). Chemisorption of 1,1-dichloroethene on the Si(111)-7x7 surface. (external link)
• Knut Børve; T. Darrah Thomas (1999). Molecular-field splitting of the 2p3/2 level in second-row atoms- a theoretical study of phosphine and phosphorus trifluoride. (external link)
• Knut Børve; Leif J Sæthre; John D. Bozek et al. (1999). Molecular-field splitting and vibrational structure in the phosphorus 2p photoelectron spectrum of PF3. (external link)
• T. Darrah Thomas; Leif J Sæthre; Knut J. Børve et al. (2005). Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene. (external link)
• Jarle Harnes; Mathias Winkler; Andreas Lindblad et al. (2011). The size of free neutral CO2 clusters from carbon 1s ionization energies. (external link)
• Tor Karlsen; Leif J Sæthre; Knut J. Børve et al. (2001). Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of ethane and deuteroethane. (external link)
• Knut Børve (1996). On the calculation of molecular field splitting in S2p photoelectron spectra. (external link)
• Vidar Remi Jensen; Knut Børve (1997). Quantum chemical investigation of ethylene insertion into the Cr-CH3 bond in CrCl(H2O)CH3+ as a model of homogeneous ethylene polymerization. (external link)
• Geir Martin Førland; Knut Børve; Harald Høiland et al. (1994). Adsorption of Short Chain Alcohols from Decane Solutions onto Kaolinite. (external link)
• M.R.F. Siggel; C. Field; Leif J Sæthre et al. (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. (external link)
• Henrik Bergersen; Mahmoud Ahmad M. Abu-Samha; Jarle Harnes et al. (2006). Size of neutral argon clusters from core-level photoelectron spectroscopy. (external link)
• Maria Gundersen Zahl; Randi Fossheim; Knut J. Børve et al. (2015). Electronic properties of chlorine, methyl, and chloromethyl as substituents to the ethylene group-viewed from the core of carbon. (external link)
• Stepan Boitsov; Knut J. Børve; Saleh. A.M. Rayyan et al. (2003). Conductivity studies in Benzotrifluoride. (external link)

Conference lecture

• Sindre Lillehaug; Knut J. Børve (2002). Catalytic dehydrogenation of ethane over Cr/silica. (external link)
• Alf Holme; Leif J Sæthre; Knut J. Børve (2007). Conformational Isomers of 1-Pentyne from Carbon 1s Photoelectron Spectroscopy. (external link)
• Jarle Harnes; Mahmoud Ahmad M. Abu-Samha; Mathias Winkler et al. (2007). Single-component CH3Br and CH3Cl clusters: Intermolecular interactions and structure studied by photoelectron spectroscopy and modeling. (external link)
• Henrik Bergersen; Olle Björneholm; Svante Svensson et al. (2005). XPS lineshape modeling for size determination of free neutral clusters. (external link)
• Knut Børve (2004). Theoretical tools for interpreting high-resolution inner-shell electron spectroscopy. (external link)
• Mahmoud Ladadweh; Henrik Bergersen; Leif J Sæthre et al. (2004). Toward theoretical lineshape models of atomic and molecular clusters. (external link)
• K. Angermund; Knut Børve; Vidar Remi Jensen et al. (1998). The mechanism of chromium-catalysed polymerization: A theoretical study. (external link)
• Maria Gundersen Zahl; Knut J. Børve; Leif J Sæthre (2012). Accurate Carbon 1s Hole-state Lifetimes for Chlorinated Methanes. (external link)
• Øystein Espelid; Knut Børve (1999). Theoretical models of polymerization of ethylene over a Phillips catalyst. (external link)
• Tor Karlsen; Knut Børve; Leif J Sæthre (1999). Theoretical Analyses of Carbon 1s Photoelectron Spectra of Simple Alkanes. (external link)
• Knut J. Børve (2007). Structure of molecular nanodroplets. (external link)
• Knut J. Børve (2007). Photoelectron spectroscopy and molecular modeling - an old couple revitalized. (external link)
• Knut J. Børve (2012). Insight to hydrogen bonding from X-ray photoelectron spectroscopy and modeling. (external link)
• Knut J. Børve (2002). Quantum chemical modeling of homogeneous and heterogeneous chromium-based catalysis. (external link)
• Vidar Remi Jensen; Manuel Sparta; Knut J. Børve (2005). DFT-based screening of structure and stability of transition metal–doped fullerenes. (external link)
• Mahmoud Abu-samha; Knut J. Børve (2006). Evidence of hydrogen bonding in inner-shell photoelectron spectra of methanol clusters. (external link)
• Vidar Remi Jensen; Manuel Sparta; Knut J. Børve (2006). Substitutional Metallofullerenes of the d-Block Metals. (external link)
• Knut J. Børve (2006). Exploring molecular clusters by means of theory-assisted electron spectroscopy. (external link)
• Yury Minenkov; Knut Børve; Giovanni Occhipinti et al. (2010). The nature of the barrier to phosphine dissociation from Grubbs olefin metathesis catalysts. (external link)
• Sindre Lillehaug; Knut J. Børve (2005). A Theoretical Study of the Dehydrogenation of Ethane over Cr/oxide Catalysts. (external link)
• Knut Børve (2004). Presentasjon av katalyse- og elektronspektroskopigruppa i Bergen. (external link)
• Knut J. Børve (2004). Mechanistic studies of some chromium-based catalytic systems - by way of theory. (external link)
• Knut J. Børve (2013). Modeling of chemical effects in x-ray photoelectron spectroscopy. (external link)
• Manuel Sparta; Vidar Remi Jensen; Knut J. Børve (2005). DFT-based screening of structure and stability of substitutionally doped metallofullerenes. (external link)
• Knut J. Børve (2007). Insight to the structure of molecular clusters from XPS and theoretical modeling. (external link)
• Knut J. Børve; Manuel Sparta; Oleksandr Loboda et al. (2007). Metal-ligand bond energies in eta-2-bonded metallofullerenes and metalloethylenes. (external link)
• Knut J. Børve (2014). CHEMICAL STRUCTURE FROM PHOTOELECTRON SPECTROSCOPY. (external link)
• Mahmoud Abu-samha; Leif J Sæthre; Knut J. Børve (2005). Structure of liquid methanol - with implications for the C1s photoelectron spectrum. (external link)
• Knut J. Børve; Sindre Lillehaug (2006). Structural and mechanistic insight by way of theory: Catalytic properties of chromium on amorphous silica. (external link)
• Knut J. Børve (2008). Theoretical and electron-spectroscopy studies of molecular clusters. (external link)
• Knut J. Børve (2008). Free one- and two-component molecular clusters. (external link)
• Mahmoud Abu-samha; Knut J. Børve; Leif J Sæthre et al. (2006). Evidence of H-Bonding in Inner-shell Photoelectron Spectra of Methanol Clusters. (external link)
• Velaug Myrseth; Knut J. Børve; Leif J Sæthre et al. (2006). The substituent effect of the methyl group in benzenes. (external link)
• Velaug Myrseth; Knut J. Børve; Leif J Sæthre et al. (2006). Carbon 1s ionization energies and proton affinities of six-membered cyclic hydrocarbons. (external link)
• Knut Børve (2011). Theoretical modeling of neutral weakly bound nanoparticles and their core-level spectra. (external link)
• Mathias Winkler; Henrik Bergersen; Mahmoud Ahmad M. Abu-Samha et al. (2009). Neutral Binary Cluster of CF4/CH4 Studied by X-ray Photoelectron Spectroscopy. (external link)
• Knut J. Børve (2013). Insight to the structure of mixed clusters from core-level photoelectron spectroscopy and modeling. (external link)
• Manuel Sparta; Knut J. Børve; Vidar Remi Jensen (2007). Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory. (external link)
• Stepan Boitsov; Knut J. Børve; Saleh. A.M. Rayyan et al. (2001). Conductivity Studies in Benzotrifluoride. (external link)
• Knut J. Børve (2007). Chemistry of Isolated and Aggregated Molecules - Present and Future Perspectives. (external link)
• Knut J. Børve (2002). Grunnundervisning i kjemi. (external link)
• Mahmoud Abu-samha; Knut J. Børve (2005). Structure of Liquid Methanol – with Implications for the C1s Photoelectron Spectrum. (external link)
• Henrik Bergersen; Olle Björneholm; Svante Svensson et al. (2005). XPS lineshape modeling of free neutral clusters. (external link)
• K. Angermund; Knut Børve; Vidar Remi Jensen et al. (1998). The mechanism of chromium-catalysed polymerization: A theoretical study. (external link)
• Øystein Espelid; Knut Børve; Vidar Remi Jensen (1998). Bonding in Chromium oxides hydroxides and mixed oxo-hydroxides. (external link)
• Morten Tysse; Vidar Remi Jensen; Knut J. Børve et al. (2021). Electrocatalytic Reduction of CO2 to CO by Iron and Zinc Porphyrin and Bacteriochlorin - A DFT study. (external link)
• Knut Børve (1999). Theoretical Studies of Chromium as a Polymerization Catalyst. (external link)
• Knut Børve (1999). Theoretical problems in photoelectron spectroscopy. (external link)
• Øystein Espelid; Knut Børve (1998). Theoretical Modeling of Reaction Mechanisms on a Cluster Mimicking a Mononuclear Chromium site on the Phillips Catalyst. (external link)
• Øystein Espelid; Knut Børve (1999). Theoretical models of polymerization of ethylene over a Phillips catalyst. (external link)
• Mathias Winkler; Henrik Bergersen; Mahmoud Ahmad M. Abu-Samha et al. (2008). Neutral Binary Clusters of CF4/CH4 Studied by X-ray Photoelectron Spectroscopy. (external link)
• Jarle Harnes; Mathias Winkler; Lindblad Andreas et al. (2008). Learning about Neutral Free CS2 Clusters. (external link)
• Knut J. Børve (2012). What is water? An answer from a chemist. (external link)
• Alf Holme; Knut J. Børve; Leif J Sæthre et al. (2009). Accurate Calculation of Chemical Shifts in Carbon 1s Ionization Energies. (external link)
• Manuel Sparta; Knut J. Børve; Vidar Remi Jensen (2007). Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory. (external link)
• Knut J. Børve (2007). Studies of molecular clusters. (external link)
• Knut J. Børve (2002). Fine structure in C1s photoelectron spectra. (external link)
• Øystein Espelid; Knut J. Børve (2001). Theoretical models of active sites at Cr/silica Phillips-type catalysts for ethylene polymerization. (external link)
• Knut J. Børve (2005). Theoretical modeling of x-ray photoelectron spectroscopy. (external link)
• Leif J Sæthre; T. Darrah Thomas; Knut J. Børve et al. (2005). Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene. (external link)
• Leif J Sæthre; T. Darrah Thomas; Knut J. Børve et al. (2005). Reactivity and core-ionization energies in conjugated dienes. Carbon 1s photoelectron spectroscopy of 1,3-pentadiene. (external link)
• Knut Børve (2004). Exploring the properties of chromium on amorphous silica by means of theory. (external link)
• Mathias Winkler; Jarle Harnes; Mahmoud Abu-samha et al. (2015). The structure of mixed molecular clusters from photoelectron spectroscopy and computational modeling. (external link)
• Knut Børve (1998). Chain-growth on a (bis-imido)chromium(IV) complex. (external link)
• T.H. Andersen; Maria Gundersen; I.-H. Svenum et al. (2006). Adsorption of 1,1-dichloroethene on the Si(111)-7x7 surface. (external link)
• Knut J. Børve (2003). Theoretical tools for interpreting high-resolution inner-shell photoelectron spectra of molecules. (external link)
• Velaug Myrseth; Leif J Sæthre; Knut J. Børve et al. (2006). The substituent effect of the methyl group. (external link)
• Knut J. Børve (2000). Catalytic olefin polymerization. (external link)
• Alf Holme; Maria Gundersen Zahl; Knut J. Børve et al. (2008). Accurate calculation of C1s ionization energy shifts and vibrational structures. (external link)
• Alf Holme; Knut J. Børve; Leif J Sæthre et al. (2008). Carbon 1s Photoelectron Spectroscopy of Conformational Isomers. (external link)

Journal review

• Knut J. Børve (2002). Alan Vincent, Molecular Symmetry and Group Theory. 2nd ed. (external link)
• Knut J. Børve (2002). Alan Hinchliffe (ed.).Chemical Modelling. Applications and Theory. Volume 1. (external link)

Research report

• Jarle Harnes; Mathias Winkler; Andreas Lindblad et al. (2012). Size of CO2 clusters from C1s photoelectron spectra. (external link)
• T. Darrah Thomas; Leif J Sæthre; Knut J. Børve et al. (2005). Reactivity and Core-ionization Energies in Conjugated Dienes. Carbon 1s Photoelectron Spectroscopy of Butadiene and Pentadiene. (external link)
• Mahmoud Ladadweh; Alf Holme; T. Darrah Thomas et al. (2003). Evidence of Conformational Effects in Carbon 1s Photoelectron Spectra. (external link)
• Alf Holme; Knut J. Børve; Leif J Sæthre et al. (2012). Evaluation of calculated chemical shifts in carbon 1s ionization energies using single-reference ab initio methods. (external link)
• Thomas X. Carroll; T. Darrah Thomas; Henrik Bergersen et al. (2005). Carbon 1s Photoelectron Spectra of Fluorobenzenes. (external link)
• Alf Holme; Leif J Sæthre; Knut J. Børve et al. (2013). Chemical reactivity of alkenes and alkynes from carbon 1s ionization energies and theory. (external link)
• Jarle Harnes; Mahmoud Abu-samha; Henrik Bergersen et al. (2012). Core-level photoelectron spectroscopy of binary methanol/chloroform clusters. (external link)
• Alf Holme; Knut J. Børve; Leif J Sæthre et al. (2013). Conformational information for 1-butene from its C1s photoelectron spectrum. (external link)
• Thomas X. Carroll; Maria Gundersen Zahl; Knut J. Børve et al. (2013). Photon-energy dependent oscillations of carbon 1s photoelectron intensities in 2-butyne. (external link)
• Mahmoud Abu-samha; Knut J. Børve; Leif J Sæthre et al. (2005). Preliminary investigation of conformational effects in the C1s photoelectron spectrum of ethanol. (external link)

Popular science article

• Knut J. Børve (2016). Rapport frå Division of Computational Chemistry og den 10. konferansen i EUCO-CC-serien. (external link)
• Alf Holme; Elaine Olsson; Maria Gundersen Zahl et al. (2009). Tettleiksfunksjonalteori med meir. (external link)
• Knut Børve; Øystein Espelid; Vidar Remi Jensen et al. (1998). Molecular modeling of metal-catalyzd reactions. (external link)
• Knut J. Børve (2012). Nanopartiklar, naturlegvis!. (external link)
• Knut J. Børve (2012). La oss snakke om nanoteknologi!. (external link)
• Bjørn Grung; Knut J. Børve (2005). Kunnskapsløftet - eit løft for kjemi?. (external link)

Academic literature review

• Manuel Sparta; Knut J. Børve; Vidar Remi Jensen (2007). Activity of rhodium-catalyzed hydroformylation: Added insight and predictions from theory. (external link)

Conference abstract

• O. Travnikova; M. Patanen; J. Söderström et al. (2020). Energy dependent relative cross sections in carbon 1s photoionization. (external link)
• Knut J. Børve (2007). Exploring molecular clusters by means of theory-assisted electron spectroscopy. (external link)
• Henrik Bergersen; Mahmoud Ahmad M. Abu-Samha; Andreas Lindblad et al. (2007). First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters. (external link)

Media feature article

• Knut Børve (1997). Principles and Practice of Heterogeneous Catalysis. (external link)
• Knut J. Børve (2000). Bokmelding av Hinchliffe, A.: Chemical Modeling - From Atoms to Liquids. (external link)

Editorial/Leader article

• Knut J. Børve (2012). Comment on "Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levels.". (external link)

See a complete overview of publications in 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.