Per-Olof Åstrand

  [ Papers published 2016-]

Papers published in international journals with peer review

  1. Åstrand P.-O., Karlström G.,
    A bound HCl- species: an ab initio quantum-chemical study,
    Chem. Phys. Lett. 175, 624-628, 1990
  2. Åstrand P.-O., Wallqvist A., Karlström G.,
    On the basis set superposition error in the evaluation of water dimer interactions,
    J. Phys. Chem. 95, 6395-6396, 1991
  3. Åstrand P.-O., Wallqvist A., Karlström G.,
    Intermolecular interactions of urea and water,
    J. Chim. Phys. 88, 2457-2464, 1991
  4. Åstrand P.-O., Wallqvist A., Karlström G., Linse P.,
    Properties of urea-water solvation calculated from a new ab initio polarizable intermolecular potential,
    J. Chem. Phys. 95, 8419-8429, 1991
  5. Åstrand P.-O., Karlström G.,
    Local polarizability calculations with localized orbitals in the uncoupled Hartree-Fock approximation,
    Mol. Phys. 77, 143-155, 1992
  6. Engdahl A., Nelander B., Åstrand P.-O.,
    Complex formation between water and formamide,
    J. Chem. Phys. 99, 4894-4907, 1993
  7. Åstrand P.-O., Wallqvist A., Karlström G.,
    Nonempirical intermolecular potentials for urea-water systems,
    J. Chem. Phys. 100, 1262-1273, 1994
  8. Mikkelsen K. V., Linse P., Åstrand P.-O., Karlström G.,
    Molecular dynamics simulation of the solvation of benzene anion. Structural and dynamical aspects,
    J. Phys. Chem. 98, 8209-8215, 1994
  9. Åstrand P.-O., Wallqvist A., Karlström G.,
    Molecular dynamics simulations of 2 m aqueous urea solutions,
    J. Phys. Chem. 98, 8224-8233, 1994
  10. Åstrand P.-O., Karlström G., Engdahl A., Nelander B.,
    Novel model for calculating the intermolecular part of the infrared spectrum for molecular complexes,
    J. Chem. Phys. 102, 3534-3554, 1995
  11. Åstrand P.-O., Linse P., Karlström G.,
    Molecular dynamics study of water adopting a potential function with explicit atomic dipole moments and anisotropic polarizabilities,
    Chem. Phys. 191, 195-202, 1995
  12. Wallqvist A., Åstrand P.-O.,
    Liquid densities and structural properties of molecular models of water,
    J. Chem. Phys. 102, 6559-6565, 1995
  13. Åstrand P.-O., Mikkelsen K. V.,
    Calculation of nuclear shielding constants and magnetizabilities of the hydrogen fluoride molecule,
    J. Chem. Phys. 104, 648-653, 1996
  14. Engkvist O., Åstrand P.-O., Karlström G.,
    Intermolecular potential for the 1,2-dimethoxyethane-water complex,
    J. Phys. Chem. 100, 6950-6957, 1996
  15. Åstrand P.-O., Mikkelsen K. V., Ruud K., Helgaker T.,
    Magnetizabilities and nuclear shielding constants of the fluoromethanes in the gas phase and solution,
    J. Phys. Chem. 100, 19771-19782, 1996
  16. Ruud K., Åstrand P.-O., Helgaker T., Mikkelsen K. V.,
    Full CI calculations of the magnetizability and rotational g factor of the hydrogen molecule,
    J. Mol. Struct. (THEOCHEM) 388, 231-235, 1996
  17. Åstrand P.-O., Ruud K., Mikkelsen K. V., Helgaker T.,
    The magnetizability anisotropy and rotational g factor of deuterium hydride and the deuterium molecule,
    Chem. Phys. Lett. 271, 163-166, 1997
  18. Nymand T. M., Åstrand P.-O., Mikkelsen K. V.,
    Chemical shifts in liquid water calculated by molecular dynamics simulations and shielding polarizabilities,
    J. Phys. Chem. B 101, 4105-4110, 1997
  19. Åstrand P.-O., Ruud K., Mikkelsen K. V., Helgaker T.,
    Electric and magnetic properties of the nitroethene molecule,
    Mol. Phys. 92, 89-96, 1997
  20. Nymand T. M., Åstrand P.-O.,
    Electric field-gradient contributions to the chemical shifts of liquid water,
    J. Chem. Phys. 106, 8332-8338, 1997
  21. Nymand T. M., Åstrand P.-O.,
    Calculation of the geometry of the water molecule in liquid water,
    J. Phys. Chem. A 101, 10039-10044, 1997
  22. Rønne C., Thrane L., Åstrand P.-O., Wallqvist A., Mikkelsen K. V., Keiding S. R.,
    Investigation of the temperature dependence of dielectric relaxation in liquid water by THz reflection spectroscopy and molecular dynamics simulation,
    J. Chem. Phys. 107, 5319-5331, 1997
  23. Åstrand P.-O., Mikkelsen K. V., Jørgensen P., Ruud K., Helgaker T.,
    Solvent effects on nuclear shieldings and spin-spin couplings of hydrogen selenide,
    J. Chem. Phys. 108, 2528-2537, 1998
  24. Åstrand P.-O., Mikkelsen K. V.,
    Atomic magnetizabilities of benzene and the fluoro- and chlorobenzenes,
    Magn. Reson. Chem. 36, 92-97, 1998
  25. Åstrand P.-O., Ruud K., Mikkelsen K. V., Helgaker T.,
    Atomic charges of the water molecule and the water dimer,
    J. Phys. Chem. A 102, 7686-7691, 1998
  26. Sylvester-Hvid K. O., Åstrand P.-O., Ratner M. A., Mikkelsen K. V.,
    Molecular polarizability: Are substituent contributions additive?,
    J. Phys. Chem. A 103, 1818-1821, 1999
  27. Rønne C., Åstrand P.-O., Keiding S. R.,
    THz-spectroscopy of H2O(l) and D2O(l),
    Phys. Rev. Lett. 82, 2888-2891, 1999
  28. Åstrand P.-O., Ruud K., Mikkelsen K. V., Helgaker T.,
    Rovibrationally averaged magnetizability, rotational g factor, and indirect spin-spin coupling of the hydrogen fluoride molecule,
    J. Chem. Phys., 110, 9463-9468, 1999
  29. Nymand T. M., Mikkelsen K. V., Åstrand P.-O., Billing G. D.,
    Dynamical model for SN2 reactions in microsolution: The Cl- + CH3Cl -> ClCH3 + Cl- reaction. Molecular dynamics simulation of reaction clusters,
    Acta Chem. Scand. 53, 1043-1053, 1999
  30. Åstrand P.-O., Ruud K., Sundholm D.,
    A modified variation-perturbation approach to zero-point vibrational motion,
    Theor. Chem. Acc. 103, 365-373, 2000
  31. Åstrand P.-O., Ruud K., Taylor P. R.,
    Calculation of the vibrational wave function of polyatomic molecules,
    J. Chem. Phys. 112, 2655-2667, 2000
  32. Ruud K., Åstrand P.-O., Taylor P. R.,
    An efficient approach for calculating vibrational wave function parameters and zero-point vibrational corrections to molecular properties of polyatomic molecules,
    J. Chem. Phys. 112, 2668-2683, 2000
  33. Jensen L., Åstrand P.-O., Sylvester-Hvid K. O., Mikkelsen K. V.,
    Frequency-dependent molecular polarizability calculated within an interaction model,
    J. Phys. Chem. A. 104, 1563-1569, 2000
  34. Åstrand P.-O., Ramanujam P. S., Hvilsted S., Bak K. L., Sauer S. P. A.,
    Ab initio calculation of the electronic spectrum of azobenzene dyes and its impact on the design of optical data storage materials,
    J. Am. Chem. Soc. 122, 3482-3487, 2000
  35. Åstrand P.-O., Sommer-Larsen P., Hvilsted S., Ramanujam P. S., Bak K. L., Sauer S. P. A.,
    Five-membered rings as diazo components in optical data storage devices: An ab initio investigation of the lowest singlet excitation energies,
    Chem. Phys. Lett. 325, 115-119, 2000
  36. Pötschke D., Hickl P., Ballauff M., Åstrand P.-O., Pedersen J. S.,
    Analysis of the conformation of worm-like chains by small-angle scattering: Monte-Carlo simulations in comparison to analytical theory,
    Macromol. Theory Simul. 9, 345-353, 2000
  37. Brdarski S., Åstrand P.-O., Karlström G.,
    The inclusion of electron correlation in intermolecular potentials: Applications to the formamide dimer and liquid formamide,
    Theor. Chem. Acc. 105, 7-14, 2000
  38. Jensen L., Schmidt O. H., Mikkelsen K. V., Åstrand P.-O.,
    Static and frequency-dependent  polarizability tensors for carbon nanotubes,
    J. Phys. Chem. B 104, 10462-10466, 2000
  39. Engkvist O., Åstrand P.-O., Karlström G.,
    Accurate intermolecular potentials obtained from molecular wave functions: Bridging the gap between quantum chemistry and molecular simulations,
    Chem. Rev. 100, 4087-4108, 2000
  40. Nymand T. M., Linse P., Åstrand P.-O.,
    A comparison of effective and and polarizable intermolecular potentials in simulations: Liquid water as a test case,
    Mol. Phys. 99, 335-348, 2001
  41. Ruud K., Taylor P. R., Åstrand P.-O.,
    Zero-point vibrational effects on optical rotation,
    Chem. Phys. Lett. 337, 217-223, 2001
  42. Ruud K., Åstrand P.-O., Taylor P. R.,
    Zero-point vibrational effects on proton shieldings: Functional-group contributions from ab initio calculations,
    J. Am. Chem. Soc. 123, 4826-4833, 2001
  43. Åstrand P.-O., Bak K. L., Sauer S. P. A.,
    Ab initio calculations on 2-imidazolyl-2-thiazolyl azo compounds - an investigation of potential near-infrared absorbing structures,
    Chem. Phys. Lett. 343, 171-177, 2001
  44. Jensen L., Åstrand P.-O., Mikkelsen K. V.,
    An atomic capacitance-polarizability model for the calculation of molecular dipole moments and polarizabilities,
    Int. J. Quant. Chem.84, 513-522, 2001
  45. Kongsted J., Osted A., Jensen L., Åstrand P.-O., Mikkelsen K. V.,
    Frequency-dependent polarizability of boron nitride nanotubes: A theoretical study,
    J. Phys. Chem. B 105, 10243-10248, 2001
  46. Ruud K., Åstrand P.-O., Taylor P. R.,
    Molecular magnetizabilities: Zero-point vibrational effects and the breakdown of Pascal's rule,
    J. Phys. Chem. A, 105, 9926-9930, 2001
  47. Jensen L., Åstrand P.-O., Osted A., Kongsted J., Mikkelsen K. V.,
    Polarizability of molecular clusters as calculated by a dipole interaction model,
    J. Chem. Phys. 116, 4001-4010, 2002
  48. Åstrand P.-O., Lefmann K., Farhi E., Nielsen K., Skårup P.,
    New features in McStas, version 1.5,
    Appl. Phys. A 74, S1511-S1513, 2002
  49. Jensen L., Sylvester-Hvid K. O., Mikkelsen K. V., Åstrand P.-O.,
    A dipole interaction model for the molecular second hyperpolarizability,
    J. Phys. Chem. A 107, 2270-2276, 2003
  50. Jensen L., Åstrand P.-O., Mikkelsen K. V.,
    Saturation of the third-order polarizability of carbon nanotubes characterized by a dipole interaction model,
    Nano Lett. 3, 661-665, 2003
  51. Ruud K., Åstrand P.-O., Taylor P. R.,
    Vibrational effects on molecular properties in large molecules,
    J. Comp. Meth. Sci. Eng. 3, 7-39, 2003
  52. Åstrand P.-O., Ruud K.,
    Zero-point vibrational contributions to fluorine shieldings in organic molecules,
    Phys. Chem. Chem. Phys. 5, 5015-5020, 2003
  53. Solheim H., Ruud K., Åstrand P.-O.,
    Atomic dipole moments calculated using analytical molecular second-moment gradients,
    J. Chem. Phys. 120, 10368-10378, 2004
  54. Jensen L., Åstrand P.-O., Mikkelsen K. V.,
    Microscopic and macroscopic polarization in C60 fullerene clusters as calculated by an electrostatic interaction model,
    J. Phys. Chem. B 108, 8226-8233, 2004
  55. Jensen L., Åstrand P.-O., Mikkelsen K. V.,
    The static polarizability and hyperpolarizability of carbon fullerenes and nanotubes,
    J. Phys. Chem. A 108, 8795-8800, 2004
  56. Kongsted J., Osted A., Mikkelsen K. V., Åstrand P.-O., Christiansen O.,
    Solvent effects on the n-> π* electronic transition in formaldehyde: A combined coupled cluster/molecular dynamics study,
    J. Chem. Phys. 121, 8435-8445, 2004
  57. Sylvester-Hvid K. O., Mikkelsen K. V., Nymand T. M., Åstrand P.-O.,
    Refractive index of liquid water in different solvent models,
    J. Phys. Chem. A 109, 905-914, 2005
  58. Hansen T., Jensen L., Åstrand P.-O., Mikkelsen K. V.,
    Frequency-dependent polarizabilities of amino acids as calculated by an electrostatic interaction model,
    J. Chem. Theory Comput. 1, 626-633, 2005
  59. Alsberg B. K., Bjerke H., Navestad G. M., Åstrand P.-O.,
    GaussDal: An open source database management system for quantum chemical computations,
    Comput. Phys. Commun. 171, 133-153, 2005
  60. Osted A., Kongsted J., Mikkelsen K. V., Åstrand P.-O., Christiansen O.,
    Statistical mechanically averaged molecular properties of liquid water calculated using the combined coupled cluster/molecular dynamics method,
    J. Chem. Phys. 124, 124503, 2006
  61. Jensen L., Esbensen A. L., Åstrand P.-O., Mikkelsen K. V.,
    Microscopic polarization in ropes and films of aligned carbon nanotubes,
    J. Comput. Meth. Sci. Eng. 6, 353-364, 2006
  62. Buttingsrud B., Alsberg B. K., Åstrand P.-O.,
    An investigation of descriptors based on the critical points in the electron density by building quantitative structure-property relationships for proton chemical shifts,
    J. Mol. Struct.: Theochem 810, 15-24, 2007
  63. Buttingsrud B., Alsberg B. K., Åstrand P.-O.,
    Quantitative prediction of the absorption maxima of azobenzene dyes from bond lengths and critical points in the electron density,
    Phys. Chem. Chem. Phys. 9, 2226-2233, 2007
  64. Buttingsrud B., Alsberg B. K., Åstrand P.-O.,
    Validation of critical points in the electron density as descriptors by building quantitative structure-property relationships for the atomic polar tensor,
    J. Comput. Chem. 28, 2130-2139, 2007
  65. Ingebrigtsen S., Lundgaard L. E., Åstrand P.-O.,
    Effects of additives on prebreakdown phenomena in liquid cyclohexane. I: Streamer initiation,
    J. Phys. D: Appl. Phys. 40, 5161-5169, 2007
  66. Ingebrigtsen S., Lundgaard L. E., Åstrand P.-O.,
    Effects of additives on prebreakdown phenomena in liquid cyclohexane. II: Streamer propagation,
    J. Phys. D: Appl. Phys. 40, 5624-5634, 2007
  67. Mayer A., Lambin Ph., Åstrand P.-O.,
    An electrostatic interaction model for frequency-dependent polarizability: methodology and applications to hydrocarbons and fullerenes,
    Nanotechnology 19, 025203, 2008
  68. Mayer A., Åstrand P.-O.,
    A charge-dipole model for the static polarizability of nanonstructures including aliphatic, olephinic, and aromatic systems,
    J. Phys. Chem. A 112, 1277-1285, 2008
  69. Sanz-Navarro C. F., Åstrand P.-O., Chen D., Rønning M., van Duin A. C. T., Jacob T., Goddard III W. A.,
    Molecular dynamics simulations of the interactions between platinum clusters and carbon platelets,
    J. Phys. Chem. A 112, 1392-1402, 2008
  70. Sanz-Navarro C. F., Åstrand P.-O., Chen D., Rønning M., van Duin A. C. T., Mueller J. E., Goddard III W. A.,
    Molecular dynamics simulations of carbon-supported Ni clusters using the Reax reactive force field,
    J. Phys. Chem. C 112, 12663-12668, 2008
  71. Jensen L., Åstrand P.-O., Mikkelsen K. V.,
    Molecular mechanics interaction models for optical electronic properties,
    J. Comput. Theor. Nanosci. 6, 270-291, 2009
  72. Smalø H. S., Åstrand P.-O., Jensen L.,
    Nonmetallic electronegativity equalization and point-dipole interaction model including exchange interactions for molecular dipole moments and polarizabilities,
    J. Chem. Phys. 131, 044101, 2009
  73. Ingebrigtsen S., Smalø H. S., Åstrand P.-O., Lundgaard L. E.,
    Effects of electron-attaching and electron-releasing additives on streamers in liquid cyclohexane,
    IEEE Trans. Dielectr. Electr. Insul. 16, 1524-1535, 2009
  74. Zhu Y.-A., Chen D., Zhou X.-G., Åstrand P.-O., Yuan W.-K.,
    First-principles calculations of C diffusion through the surface and subsurface of Ag/Ni(100) and reconstructed Ag/Ni(100),
    Surf. Sci. 604, 186-195, 2010
  75. Sanz-Navarro C. F., Åstrand P.-O., Chen D., Rønning M., van Duin A. C. T., Goddard III W. A.,
    Molecular dynamics simulations of metal clusters supported on fishbone carbon nanofibers,
    J. Phys. Chem. C 114, 3522-3530, 2010
  76. Smalø H. S., Åstrand P.-O., Ingebrigtsen S.
    Calculation of ionization potentials and electron affinities for molecules relevant for streamer initiation and propagation,
    IEEE Trans. Dielectr. Electr. Insul. 17, 736-744, 2010
  77. Smalø H. S., Hestad Ø., Ingebrigtsen S., Åstrand P.-O.,
    Field dependence on the molecular ionization potential and excitation energies compared to conductivity models for insulation materials at high electrical fields,
    J. Appl. Phys. 109, 073306, 2011
  78. Hestad Ø. L., Smalø H. S., Åstrand P.-O., Ingebrigtsen S., Lundgaard L. E.,
    Effects of N,N-dimethylaniline and trichloroethene on prebreakdown phenomena in liquid and solid n-tridecane,
    IEEE Trans. Dielectr. Electr. Insul. 18, 1886-1896, 2011
  79. Hestad Ø. L., Åstrand P.-O., Lundgaard L. E.,
    n-tridecane as a model system for polyethylene: Comparison of pre-breakdown phenomena in liquid and solid phase stressed by a fast transient,
    IEEE Trans. Dielectr. Electr. Insul. 18, 1929-1946, 2011
  80. Davari N., Åstrand P.-O., Ingebrigtsen S., Unge M.,
    Excitation energies and ionization potentials at high electric fields for molecules relevant for electrically insulating liquids,
    J. Appl. Phys. 113, 143707, 2013
  81. Cheng H.-Y., Åstrand P.-O., Chen D., Zhu Y.-A., Zhou X.-G., Li P.,
    Adsorption of a single Pt atom on polyaromatic hydrocarbons from first-principle calculations,
    Chem. Phys. Lett. 575, 76-80, 2013
  82. Cheng H.-Y., Zhu Y.-A., Åstrand P.-O., Chen D., Li P., Zhou X.-G.,
    Evolution of Pt nanoparticles supported on fishbone-type carbon nanofibers with cone-helix structures: a molecular dynamics study,
    J. Phys. Chem. C 117, 14261-14271, 2013
  83. Davari N., Åstrand P.-O., Van Voorhis T.,
    Field-dependent ionization potential by constrained density functional theory,
    Mol. Phys. 111, 1456-1461, 2013
  84. Smalø H. S., Åstrand P.-O., Mayer A.,
    Combined nonmetallic electronegativity equalization and point-dipole interaction model for the frequency-dependent polarizability,
    Mol. Phys. 111, 1470-1481, 2013
  85. Venkatraman V., Åstrand P.-O., Alsberg B. K.,
    Quantitative structure-property relationship modeling of Grätzel solar cell dyes,
    J. Comput. Chem. 35, 214-226, 2014
  86. Davari N., Åstrand P.-O., Unge M., Lundgaard L. E., Linhjell D.,
    Field-dependent molecular ionization and excitation energies: implications for electrically insulating liquids,
    AIP Adv. 4, 037117, 2014
  87. Mahmoodinia M., Ebadi M., Åstrand P.-O., Chen D., Cheng H.-Y., Zhu Y.-A.,
    Structural and electronic properties of the Ptn-PAH complex (n=1,2) from density functional calculations,
    Phys. Chem. Chem. Phys 16, 18586-18595, 2014
  88. Daub C. D., Åstrand P.-O., Bresme F.,
    Thermo-molecular orientation effects in fluids of dipolar dumbbells,
    Phys. Chem. Chem. Phys 16, 22097-22106, 2014
  89. Cheng H.-Y., Zhu Y.-A., Chen D., Åstrand P.-O., Li P., Qi Z., Zhou X.-G.,
    Evolution of carbon nanofiber-supported Pt nanoparticles of different particle sizes: a molecular dynamics study,
    J. Phys. Chem. C 118, 23711-23722, 2014
  90. Haghdani Sh., Davari N., Sandnes R., Åstrand P.-O.,
    Complex frequency-dependent polarizability through the π -> π* excitation energy of azobenzene molecules by a combined charge-transfer and point-dipole interaction model,
    J. Phys. Chem. A 118, 11282-11292, 2014
  91. Davari N., Åstrand P.-O., Unge M.,
    Density-functional calculations of field-dependent ionization potentials and excitation energies of aromatic molecules,
    Chem. Phys 447, 22-29, 2015
  92. Davari N., Haghdani Sh., Åstrand P.-O., Schatz G. C.,
    Local electric field factors by a combined charge-transfer and point- dipole interaction model,
    RSC Adv. 5, 31594-31605, 2015
  93. Daub C. D., Åstrand P.-O., Bresme F.,
    Lithium ion-water clusters in strong electric fields: A quantum chemical study,
    J. Phys. Chem. A 119, 4983-4992, 2015
  94. Davari N., Daub C. D., Åstrand P.-O., Unge M.,
    Local field factors and dielectric properties of liquid benzene,
    J. Phys. Chem. B 119, 11839-11845, 2015
  95. Mehandzhiyski A. Y., Riccardi E., van Erp T. S., Koch H., Åstrand P.-O., Trinh T. T., Grimes B. A.,
    Density functional theory study on the interactions of metal ions with long chain deprotonated carboxylic acids,
    J. Phys. Chem. A 119, 10195-10203, 2015
  96. Mahmoodinia M., Åstrand P.-O., Chen D.,
    Chemical bonding and electronic properties of the Co adatom and dimer interacting with polyaromatic hydrocarbons,
    J. Phys. Chem. C_119, 24245-24438, 2015
  97. Moqadam M., Riccardi E., Trinh T. T., Åstrand P.-O., van Erp T. S.,
    A test on reactive force fields for the study of silica dimerization reactions,
    J. Chem. Phys. 143, 184113, 2015
  98. Haghdani Sh., Åstrand P.-O., Koch H.,
    Optical rotation from coupled cluster and density functional theory: The role of basis set convergence,
    J. Chem. Theor. Comput. 12, 535-548, 2016
  99. Mahmoodinia M., Åstrand P.-O., Chen D.,
    Influence of carbon support on electronic structure and catalytic activity of Pt catalysts: Binding to the CO molecule,
    J. Phys. Chem. C 120, 12452-12462, 2016
  100. Daub C. D., Åstrand P.-O., Bresme F.,
    Polarisation of polar dumbbell fluids in thermal gradients: the importance of the treatment of electrostatic interactions,
    Mol. Phys. 114, 3249-3254, 2016
  101. Haghdani Sh., Gautun O. R., Koch H., Åstrand P.-O.,
    Optical rotation calculations for a set of pyrrole compounds,
    J. Phys. Chem. A 120, 7351-7360, 2016
  102. Haghdani Sh., Hoff B. H., Koch H., Åstrand P.-O.,
    Optical rotation calculations for fluorinated alcohols, amines, amides and esters,
    J. Phys. Chem. A 120, 7973-7986, 2016
  103. Haghdani Sh., Hoff B. H., Koch H., Åstrand P.-O.,
    Solvent effects on optical rotation: On the balance between hydrogen bonding and shifts in dihedral angles,
    J. Phys. Chem. A 121, 4765-4777, 2017
  104. Mahmoodinia M., Åstrand P.-O., Chen D.,
    Tuning the electronic properties of single-atom Pt catalysts by functionalization of the carbon support material,
    J. Phys. Chem. C 121, 20802-20812, 2017
  105. Mahmoodinia M., Trinh T. T., Åstrand P.-O., Tran K.-Q.,
    Geometrical flexibility of platinum nanoclusters: Impact on catalytic decomposition of ethylene glycol,
    Phys. Chem. Chem. Phys. accepted manuscript, 2017

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Last modified 03/Oct/2017 by Per-Olof Åstrand