Gunnar Karlström

Professor emeritus
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  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, In : Journal of Molecular Liquids. 292, Oct, 111300.

    Research output: Contribution to journalArticle

  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 May 10, In : Journal of Chemical Theory and Computation. 12, 5, p. 2298-2311 14 p.

    Research output: Contribution to journalArticle

  5. Clouding of nonionic surfactants

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

    Research output: Contribution to journalReview article

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

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

    Research output: Contribution to journalArticle

  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. p. 11-20

    Research output: Chapter in Book/Report/Conference proceedingPaper in conference proceeding

  10. A unified treatment of polar solvation using electrostatic fluctuations

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  14. 2010
  15. A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.

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

    Research output: Contribution to journalArticle

  16. Bulk simulation of polar liquids in spherical symmetry.

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

    Research output: Contribution to journalArticle

  17. On the mechanism of dissolution of cellulose

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  19. 2009
  20. 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, In : Chemical Physics. 359, 1-3, p. 118-125

    Research output: Contribution to journalArticle

  21. Electric multipole moment fluctuations in polar liquids.

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  24. Nonionic polymers and surfactants: Temperature anomalies revisited

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  26. 2008
  27. An intramolecular induction correction model of the molecular dipole moment.

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  29. 2007
  30. Hybrid Monte Carlo simulations of vertical electronic transitions in acetone in aqueous solution

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  33. The charge capacity of the chemical bond

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

    Research output: Contribution to journalArticle

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

    Öhrn, A. & Gunnar Karlström, 2007, In : ChemPhysChem. 8, 4, p. 523-525

    Research output: Contribution to journalArticle

  35. 2006
  36. Combined quantum chemical statistical mechanical simulations of Mg2+, Ca2+ and Sr2+ in water

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

    Research output: Contribution to journalArticle

  37. 2005
  38. On the solvation of ions in small water droplets

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  40. 2004
  41. Local properties of quantum chemical systems: The LoProp approach

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  43. 2003
  44. 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, In : Computational Materials Science. 28, 2, p. 222-239

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

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