Per-Olof Åstrand

  [ Papers published 2024-]

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 S_N2 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 Pt_n-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. 19, 28596-28603, 2017
106. Madshaven I., Åstrand P.-O., Hestad O. L., Ingebrigtsen S., Unge M., Hjortstam O.,
     Simulation model for the propagation of second mode streamers in dielectric liquids using the Townsend-Meek criterion,
     J. Phys. Commun. 2, 105007, 2018
107. Madshaven I., Hestad O. L., Unge M., Hjortstam O., Åstrand P.-O.,
     Conductivity and capacitance of streamers in avalanche model for streamer propagation,
     Plasma Res. Express 1, 035014, 2019
108. Madshaven I., Hestad O. L., Unge M., Hjortstam O., Åstrand P.-O.,
     Photoionization model for streamer propagation mode change in simulation model for streamers in dielectric liquids,
     Plasma Res. Express 2, 015002, 2020
109. Madshaven I., Hestad O. L., Åstrand P.-O.,
     Cerman: Software for simulating streamer propagation in dielectric liquids based on the Townsend-Meek criterion,
     Comput. Phys. Commun. 265, 107987, 2021
110. Åstrand P.-O.,
     Analytical model for the molecular ionization energy in an external electric field,
     J. Phys. Chem. Lett. 15, 6146-6150, 2024
111. Elumalai V., Eigner V., Janjua N. A., Åstrand P.-O., Visnes T., Sundby E., Hoff B. H.,
     X-ray structure of eleven new N,N'-substituted guanidines: Effect of substituents on tautomer structure in the solid state,
     Crystals 14, 884, 2024
112. Åstrand P.-O., de Miguel R.,
     Lattice models in molecular thermodynamics: Merging the configurational and translational entropies,
     J. Phys. Chem. B 128, 12752-12759, 2024

Other publications

• Åstrand P.-O., Hydrogen bonding as described by perturbation theory, Ph. D. thesis, Lund University, 1994. The thesis was defended 6 December, 1994 with Professor A. David Buckingham, Cambridge as my opponent.
• Linse P., Wallqvist A., Åstrand P.-O., Nymand T. M., Lobaskin V., MOLSIM version 2.6.0, Lund University, 1998
• Taylor P. R., Ruud K., Åstrand P.-O., The effects of vibration on molecular properties, Abstr. Pap. Am. Chem. Soc. 221, 46-PHYS, 2001
• McStas reports
• Åstrand P.-O., Lefmann K., Nielsen K., Monte Carlo simulations of neutron scattering instruments. In Proceedings of the International workshop on new opportunities in single crystal spectroscopy with neutrons, J. Füzi and L. Rosta (eds.), KFKI-2001-01/E report, Balaton, Hungary, 2001. ISBN 963-372-625-5
• Åstrand P.-O., Lefmann K., Nielsen K., The philosophy of McStas. In Proceedings of the international Workshop on VITESS 2.0 and other packages for simulations of neutron scattering, G. Zsigmond and K. Lieutenant (eds.), ESS report 02-124-T , Berlin, Germany, 2002. ISSN 1433-559X
• Åstrand P.-O., Lefmann K., Farhi E., Nielsen K., User and programmers guide to the neutron ray-tracing package McStas, version 1.5, Risø Report Risø-R-1288(EN), Roskilde, Denmark, 2001. ISBN 87-550-2929-9. ISSN-0106-2840

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Last modified 03/January/2025 by Per-Olof Åstrand