Gunnar Karlström

Professor emeritus
Fler filtreringsmöjligheter
  1. 2019
  2. Structure and spectrum of the hydrated electron. A combined quantum chemical statistical mechanical simulation

    Hermida-Ramon, J. M., Öhrn, A. & Gunnar Karlström, 2019, I : Journal of Molecular Liquids. 292, Oct, 111300.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  3. 2016
  4. Method for Slater-Type Density Fitting for Intermolecular Electrostatic Interactions with Charge Overlap. I. the Model

    Öhrn, A., Hermida-Ramon, J. M. & Gunnar Karlström, 2016 maj 10, I : Journal of Chemical Theory and Computation. 12, 5, s. 2298-2311 14 s.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  5. Clouding of nonionic surfactants

    Björn Lindman, Medronho, B. & Gunnar Karlström, 2016 apr 1, I : Current Opinion in Colloid and Interface Science. 22, s. 23-29 7 s.

    Forskningsoutput: TidskriftsbidragÖversiktsartikel

  6. 2014
  7. Dielectric response from lattices of dipoles with fixed orientation.

    Thuresson, A. & Gunnar Karlström, 2014, I : Journal of Chemical Physics. 141, 23, 234505.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  8. 2011
  9. Anisotropic electric fluctuations in polar liquids under spherical confinement

    Joakim Stenhammar, Linse, P. & Gunnar Karlström, 2011, Molecular Physics. Taylor & Francis, Vol. 109. s. 11-20

    Forskningsoutput: Kapitel i bok/rapport/Conference proceedingKonferenspaper i proceeding

  10. A unified treatment of polar solvation using electrostatic fluctuations

    Joakim Stenhammar, Linse, P. & Gunnar Karlström, 2011, I : Chemical Physics Letters. 501, 4-6, s. 364-368

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  11. Calculation of the Molecular and Atomic Properties of Selected Anions in Water.

    Holt, A., Gunnar Karlström & Hermida-Ramón, J. M., 2011, I : The Journal of Physical Chemistry Part B. 115, 5, s. 1098-1104

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  12. Dipolar Order in Molecular Fluids: II. Molecular Influence

    Linse, P. & Gunnar Karlström, 2011, I : Journal of Statistical Physics. 145, 2, s. 418-440

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  13. Dipolar Order in Molecular Fluids: I. Toward an Understanding

    Gunnar Karlström & Linse, P., 2011, I : Journal of Statistical Physics. 145, 2, s. 410-417

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  14. Increasing thermoelectric performance using coherent transport

    Karlström, O., Heiner Linke, Gunnar Karlström & Andreas Wacker, 2011, I : Physical Review B (Condensed Matter and Materials Physics). 84, 11, 113415.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  15. Structural Anisotropy in Polar Fluids Subjected to Periodic Boundary Conditions

    Joakim Stenhammar, Gunnar Karlström & Linse, P., 2011, I : Journal of Chemical Theory and Computation. 7, 12, s. 4165-4174

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  16. 2010
  17. A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.

    Holt, A., Boström, J., Gunnar Karlström & Lindh, R., 2010, I : Journal of Computational Chemistry. 31, 8, s. 1583-1591

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  18. Bulk simulation of polar liquids in spherical symmetry.

    Joakim Stenhammar, Linse, P. & Gunnar Karlström, 2010, I : Journal of Chemical Physics. 132, 10, 104507.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  19. On the mechanism of dissolution of cellulose

    Björn Lindman, Gunnar Karlström & Stigsson, L., 2010, I : Journal of Molecular Liquids. 156, 1, s. 76-81

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  20. Retardation effects breaking long-range orientational ordering in dipolar fluids.

    Gunnar Karlström & Linse, P., 2010, I : Journal of Chemical Physics. 132, 5, 054505.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  21. Two-center potential correlations and its use to determine effective ion-ion interactions and dielectric permittivities in dipolar solvents

    Gunnar Karlström, Linse, P. & Woodward, C. E., 2010, I : Journal of Chemical Physics. 132, 8, 084508.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  22. 2009
  23. Aqueous solvent effects on structure and lowest electronic transition of methylene peroxide in an explicit solvent model

    Manuel Hermida-Ramon, J., Öhrn, A. & Gunnar Karlström, 2009, I : Chemical Physics. 359, 1-3, s. 118-125

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  24. Electric multipole moment fluctuations in polar liquids.

    Joakim Stenhammar, Linse, P., Per-Åke Malmqvist & Gunnar Karlström, 2009, I : Journal of Chemical Physics. 130, 12, 124521.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  25. Improvement of the NEMO Potential by Inclusion of Intramolecular Polarization

    Holt, A. & Gunnar Karlström, 2009, I : International Journal of Quantum Chemistry. 109, 6, s. 1255-1266

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  26. Nondielectric long-range solvation of polar liquids in cubic symmetry

    Joakim Stenhammar, Linse, P. & Gunnar Karlström, 2009, I : Journal of Chemical Physics. 131, 16, 164507.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  27. Nonionic polymers and surfactants: Temperature anomalies revisited

    Björn Lindman & Gunnar Karlström, 2009, I : Comptes Rendus. Chimie. 12, 1-2, s. 121-128

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  28. The Charge Capacitance of the Chemical Bond: Application to Bonds Containing Metals

    Holt, A., Gunnar Karlström & Roos, B., 2009, I : International Journal of Quantum Chemistry. 109, 3, s. 618-628

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  29. 2008
  30. Accuracy of typical approximations in classical models of intermolecular polarization.

    Pär Söderhjelm, Öhrn, A., Ulf Ryde & Gunnar Karlström, 2008, I : Journal of Chemical Physics. 128, 1, 014102.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  31. An intramolecular induction correction model of the molecular dipole moment.

    Holt, A. & Gunnar Karlström, 2008, I : Journal of Computational Chemistry. 29, 7, s. 1084-1091

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  32. Inclusion of the quadrupole moment when describing polarization. The effect of the dipole-quadrupole polarizability.

    Holt, A. & Gunnar Karlström, 2008, I : Journal of Computational Chemistry. 29, 12, s. 2033-2038

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  33. Induction correction model for rotation of two or three dihedral angles.

    Holt, A. & Gunnar Karlström, 2008, I : Journal of Computational Chemistry. 29, 12, s. 1905-1911

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  34. 2007
  35. Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models

    Pär Söderhjelm, Krogh, J. W., Gunnar Karlström, Ulf Ryde & Lindh, R., 2007, I : Journal of Computational Chemistry. 28, 6, s. 1083-1090

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  36. Formation of ferroelectric domains observed in simulation of droplets of dipolar particles

    Gunnar Karlström, 2007, I : The Journal of Physical Chemistry Part B. 111, 36, s. 10745-10758

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  37. Hybrid Monte Carlo simulations of vertical electronic transitions in acetone in aqueous solution

    Öhrn, A. & Gunnar Karlström, 2007, I : Theoretical Chemistry Accounts. 117, 3, s. 441-449

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  38. Many-body polarization, a cause of asymmetric solvation of ions and quadrupoles

    Öhrn, A. & Gunnar Karlström, 2007, I : Journal of Chemical Theory and Computation. 3, 6, s. 1993-2001

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  39. Planar or nonplanar: What is the structure of urea in aqueous solution?

    Hermida-Ramon, J. M., Öhrn, A. & Gunnar Karlström, 2007, I : The Journal of Physical Chemistry Part B. 111, 39, s. 11511-11515

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  40. The charge capacity of the chemical bond

    Holt, A., Gunnar Karlström & Lindh, R., 2007, I : Chemical Physics Letters. 436, 1-3, s. 297-301

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  41. Theoretical predictions of the coordination of water to the polar headgroup of dimethyldodecylamine-N-oxide

    Öhrn, A. & Gunnar Karlström, 2007, I : ChemPhysChem. 8, 4, s. 523-525

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  42. 2006
  43. Combined quantum chemical statistical mechanical simulations of Mg2+, Ca2+ and Sr2+ in water

    Tofteberg, T., Öhrn, A. & Gunnar Karlström, 2006, I : Chemical Physics Letters. 429, 4-6, s. 436-439

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  44. Comparison of overlap-based models for approximating the exchange-repulsion energy

    Pär Söderhjelm, Gunnar Karlström & Ulf Ryde, 2006, I : Journal of Chemical Physics. 124, 24, 244101.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  45. 2005
  46. Intermolecular vibrations of the water trimer, a matrix isolation study

    Ceponkus, J., Gunnar Karlström & Nelander, B., 2005, I : The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 109, 35, s. 7859-7864

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  47. On the solvation of ions in small water droplets

    Hagberg, D., Brdarski, S. & Gunnar Karlström, 2005, I : The Journal of Physical Chemistry Part B. 109, 9, s. 4111-4117

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  48. The coordination of uranyl in water: A combined quantum chemical and molecular simulation study

    Hagberg, D., Gunnar Karlström, Roos, B. & Gagliardi, L., 2005, I : Journal of the American Chemical Society. 127, 41, s. 14250-14256

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  49. 2004
  50. A combined quantum chemical statistical mechanical simulation of the hydration of Li+, Na+, F-, and Cl-

    Öhrn, A. & Gunnar Karlström, 2004, I : The Journal of Physical Chemistry Part B. 108, 24, s. 8452-8459

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  51. Local properties of quantum chemical systems: The LoProp approach

    Gagliardi, L., Lindh, R. & Gunnar Karlström, 2004, I : Journal of Chemical Physics. 121, 10, s. 4494-4500

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  52. Study of the hydronium ion in water. A combined quantum chemical and statistical mechanical treatment

    Hermida-Ramon, J. M. & Gunnar Karlström, 2004, I : Journal of molecular structure. Theochem. 712, 1-3, s. 167-173

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  53. 2003
  54. Inter- and intramolecular potential for the N-formylglycinamide-water system. A comparison between theoretical modeling and empirical force fields

    Hermida-Ramon, J. M., Brdarski, S., Gunnar Karlström & Ulf Berg, 2003, I : Journal of Computational Chemistry. 24, 2, s. 161-176

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  55. Molcas: a program package for computational chemistry.

    Gunnar Karlström, Lindh, R., Per-Åke Malmqvist, Roos, B., Ulf Ryde, Valera Veryazov, Per-Olof Widmark, Cossi, M., Schimmelpfennig, B., Neogrady, P. & Seijo, L., 2003, I : Computational Materials Science. 28, 2, s. 222-239

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  56. On the influence of the basis set superposition error on calculated vibrational frequencies

    Hermida-Ramón, J. M., Gunnar Karlström & Nelander, B., 2003, I : Theoretical Chemistry Accounts. 110, 3, s. 190-195

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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