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  • 1.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    An X-ray emission spectroscopy study of CO adsorbed on Ni(100) and Cu(100)1996Report (Other academic)
  • 2.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    C1s and O1s gas phase shake-up spectra from Mo(CO)61993Report (Other academic)
  • 3.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    CO adsorption on Cu(100) systems: A theoretical shake-up study1996Report (Other academic)
  • 4.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Review of : A first course in computational physics: by PL DeVries, Wiley1995In: Elementa : tidskrift för matematik, fysik och kemi, ISSN 0013-5933, Vol. 78, p. 105-Article, book review (Other (popular science, discussion, etc.))
  • 5.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Review of : Physics by computer. Programming of physical problems using Mathematica and C: by CW Kinzel/G Reents, Springer-Verlag1999In: Elementa : tidskrift för matematik, fysik och kemi, ISSN 0013-5933, Vol. 82, p. 100-Article, book review (Other (popular science, discussion, etc.))
  • 6.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Review of : Physics experiments using PC's: by Ed H Staudenmaier, Springer-Verlag1995In: Elementa : tidskrift för matematik, fysik och kemi, ISSN 0013-5933, Vol. 78, p. 105-Article, book review (Other (popular science, discussion, etc.))
  • 7.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Review of : Physics with answers, 500 problems and solutions: by AR King/O Regev, Cambridge Univ. Press1999In: Elementa : tidskrift för matematik, fysik och kemi, ISSN 0013-5933, Vol. 82, p. 97-Article, book review (Other (popular science, discussion, etc.))
  • 8.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Review of : Problems in Quantum Mechanics: by GL Squires, Cambridge Univ. Press1996In: Elementa : tidskrift för matematik, fysik och kemi, ISSN 0013-5933, Vol. 79, p. 168-Article, book review (Other (popular science, discussion, etc.))
  • 9.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Review of : Quantum mechanics on the personal computer: by Brandt/ HD Dahmen, Springer-Verlag1989In: Elementa : tidskrift för matematik, fysik och kemi, ISSN 0013-5933, Vol. 75, p. 33-Article, book review (Other (popular science, discussion, etc.))
  • 10.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Review of : Second quantized approach to quantum mechanics: by PR Surjan, Springer-Verlag 19891989In: Elementa : tidskrift för matematik, fysik och kemi, ISSN 0013-5933, Vol. 75, p. 40-Article, book review (Other (popular science, discussion, etc.))
  • 11.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Review of: Quantum mechanics on the Macintosh by S Brandt/HD Dahmen, Springer-Verlag1993In: Elementa : tidskrift för matematik, fysik och kemi, ISSN 0013-5933, Vol. 76, no 103Article, book review (Other (popular science, discussion, etc.))
  • 12.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Shake-up structures calculated with the INDO/CI method: CO adsorbed on Ni(100) clusters1996Report (Other academic)
  • 13.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Theoretical shake-up studies of N2 adsorbed on Ni(100) clusters1996Report (Other academic)
  • 14.
    Bustad, Johnny
    et al.
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Enkvist, C
    Lundell, S
    Svensson, S
    Theoretical study of core ionized Cr(CO)61995In: Journal of Electron Spectroscopy and Related Phenomena, ISSN 0368-2048, E-ISSN 1873-2526, Vol. 70, no 3, p. 233-244Article in journal (Refereed)
    Abstract [en]

    The satellite structure of the Cls and Ols photoelectron spectra of chromium hexacarbonyl Cr(CO)(6) has been calculated by the INDO/CI method and compared with available high resolution core level photoelectron spectra. A reassignment of some of the lines is made. It is found that the satellite structure in both cases is dominated by excitations from metal-ligand bonding to metal-ligand antibonding Me(3d)-pi* orbitals, and that these shake-up excitations involve a significant charge transfer to the core ionized ligand from the rest of the molecule.

  • 15.
    Bustad, Johnny
    et al.
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Enkvist, C
    Lunell, S
    Tillborg, H
    Nilsson, A
    Osborne, S
    Sandell, A
    Martensson, N
    Svensson, S
    C1s and O1s gas phase shake-up spectra from Mo(CO)61994In: Chemical Physics, ISSN 0301-0104, E-ISSN 1873-4421, Vol. 179, no 3, p. 303-312Article in journal (Refereed)
    Abstract [en]

    Experimental high-resolution core photoelectron C1s and O1s shake-up spectra of molybdenum hexacarbonyl, Mo(CO)(6), are reported and compared with results of semiempirical INDO/CI calculations. Several hitherto unobserved peaks are identified and assigned. It is found that an intra- and inter-group classification can be used to describe the transitions. The transitions of lowest energy have Mo-CO inter-group character. Dynamical effects on the line widths of the experimental shake-up peaks are discussed. A discussion of the relevance of experimental results obtained for the Mo(CO)(6)e for CO adsorption on metal surfaces is presented.

  • 16.
    Bustad, Johnny
    et al.
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Lun, Sten
    A theoretical study of the C1s shake-up spectrum of Benzene adsorbed on Copper(100) surfaces1996Report (Other academic)
  • 17.
    Bustad, Johnny
    et al.
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Lunell, C
    Semi-empirical configurational interaction calculation of shake-up satellites in Ni(CO)41998In: International Journal of Quantum Chemistry, ISSN 0020-7608, E-ISSN 1097-461X, International journal of Quantum Chemistry, Vol. 69, no 5, p. 649-657Article in journal (Refereed)
    Abstract [en]

    INDO/CI calculations were used to analyze the C1s and O1s shake-up spectra of nickel tetracarbonyl, Ni(CO)4. The satellite structure in both cases is dominated by excitations from metal–ligand bonding (2Πb) to metal–ligand antibonding (2Πa) orbitals and by excitations within the core-ionized CO molecule, ΠCO—Π*CO.

  • 18.
    Bustad, Johnny
    et al.
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Lunell, Sten
    Semi-empirical configurational interaction calculations of XPS shake-up satellites in Ni(CO)₄1996Report (Other academic)
  • 19. Persson, P
    et al.
    Bustad, Johnny
    University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
    Zerner, MC
    INDO calculations of small copper clusters and CO adsorbed on copper(100) surfaces2000In: Journal of Computational Chemistry, ISSN 0192-8651, E-ISSN 1096-987X, Vol. 21, no 14, p. 1221-1228Article in journal (Refereed)
    Abstract [en]

    A new parameterization for copper at the INDO/CI level is presented. Results for excitation energies, ionization potentials, and electron detachment energies are presented for selected copper clusters with up to ten atoms. The parameterization gives improved results for calculations of spectroscopic properties for systems with significant copper-copper interactions, such as clusters and model surfaces. Results for the Ols shakeup of CO attached to Cu(100) model surfaces for the new parameters are compared with experiments and with results obtained using the standard parameters.

1 - 19 of 19
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