Gunnar Karlström
Professor emeritus
Publications
Displaying of publications. Sorted by year, then title.
Structure and spectrum of the hydrated electron. A combined quantum chemical statistical mechanical simulation
Jose M. Hermida-Ramon, Anders Öhrn, Gunnar Karlström
(2019) Journal of Molecular Liquids, 292
Journal articleMethod for Slater-Type Density Fitting for Intermolecular Electrostatic Interactions with Charge Overlap. I. the Model
Anders Öhrn, Jose M. Hermida-Ramon, Gunnar Karlström
(2016) Journal of Chemical Theory and Computation, 12 p.2298-2311
Journal articleClouding of nonionic surfactants
Björn Lindman, Bruno Medronho, Gunnar Karlström
(2016) Current Opinion in Colloid and Interface Science, 22 p.23-29
Journal article reviewDielectric response from lattices of dipoles with fixed orientation.
Axel Thuresson, Gunnar Karlström
(2014) Journal of Chemical Physics, 141
Journal articleAnisotropic electric fluctuations in polar liquids under spherical confinement
Joakim Stenhammar, Per Linse, Gunnar Karlström
(2011) Molecular Physics, 109 p.11-20
Conference paperStructural Anisotropy in Polar Fluids Subjected to Periodic Boundary Conditions
Joakim Stenhammar, Gunnar Karlström, Per Linse
(2011) Journal of Chemical Theory and Computation, 7 p.4165-4174
Journal articleIncreasing thermoelectric performance using coherent transport
Olov Karlström, Heiner Linke, Gunnar Karlström, Andreas Wacker
(2011) Physical Review B (Condensed Matter and Materials Physics), 84
Journal articleA unified treatment of polar solvation using electrostatic fluctuations
Joakim Stenhammar, Per Linse, Gunnar Karlström
(2011) Chemical Physics Letters, 501 p.364-368
Journal articleDipolar Order in Molecular Fluids: I. Toward an Understanding
Gunnar Karlström, Per Linse
(2011) Journal of Statistical Physics, 145 p.410-417
Journal articleDipolar Order in Molecular Fluids: II. Molecular Influence
Per Linse, Gunnar Karlström
(2011) Journal of Statistical Physics, 145 p.418-440
Journal articleCalculation of the Molecular and Atomic Properties of Selected Anions in Water.
Asbjörn Holt, Gunnar Karlström, José Manuel Hermida-Ramón
(2011) The Journal of Physical Chemistry Part B, 115 p.1098-1104
Journal articleOn the mechanism of dissolution of cellulose
Björn Lindman, Gunnar Karlström, Lars Stigsson
(2010) Journal of Molecular Liquids, 156 p.76-81
Journal articleRetardation effects breaking long-range orientational ordering in dipolar fluids.
Gunnar Karlström, Per Linse
(2010) Journal of Chemical Physics, 132
Journal articleBulk simulation of polar liquids in spherical symmetry.
Joakim Stenhammar, Per Linse, Gunnar Karlström
(2010) Journal of Chemical Physics, 132
Journal articleTwo-center potential correlations and its use to determine effective ion-ion interactions and dielectric permittivities in dipolar solvents
Gunnar Karlström, Per Linse, Clifford E. Woodward
(2010) Journal of Chemical Physics, 132
Journal articleA NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.
Asbjörn Holt, Jonas Boström, Gunnar Karlström, Roland Lindh
(2010) Journal of Computational Chemistry, 31 p.1583-1591
Journal articleAn exact calculation of the van der Waals interaction between two spheres of classical dipolar fluid.
Joakim Stenhammar, Per Linse, Håkan Wennerström, Gunnar Karlström
(2010) The Journal of Physical Chemistry Part B, 114 p.13372-13380
Journal articleNondielectric long-range solvation of polar liquids in cubic symmetry
Joakim Stenhammar, Per Linse, Gunnar Karlström
(2009) Journal of Chemical Physics, 131
Journal articleElectric multipole moment fluctuations in polar liquids.
Joakim Stenhammar, Per Linse, Per-Åke Malmqvist, Gunnar Karlström
(2009) Journal of Chemical Physics, 130
Journal articleThe Charge Capacitance of the Chemical Bond: Application to Bonds Containing Metals
Asbjörn Holt, Gunnar Karlström, Björn Roos
(2009) International Journal of Quantum Chemistry, 109 p.618-628
Journal articleImprovement of the NEMO Potential by Inclusion of Intramolecular Polarization
Asbjörn Holt, Gunnar Karlström
(2009) International Journal of Quantum Chemistry, 109 p.1255-1266
Journal articleNonionic polymers and surfactants: Temperature anomalies revisited
Björn Lindman, Gunnar Karlström
(2009) Comptes Rendus. Chimie, 12 p.121-128
Journal articleAqueous solvent effects on structure and lowest electronic transition of methylene peroxide in an explicit solvent model
Jose Manuel Hermida-Ramon, Anders Öhrn, Gunnar Karlström
(2009) Chemical Physics, 359 p.118-125
Journal articleAn intramolecular induction correction model of the molecular dipole moment.
Asbjörn Holt, Gunnar Karlström
(2008) Journal of Computational Chemistry, 29 p.1084-1091
Journal articleAccuracy of typical approximations in classical models of intermolecular polarization
Pär Söderhjelm, Anders Öhrn, Ulf Ryde, Gunnar Karlström
(2008) Journal of Chemical Physics, 128
Journal articleInduction correction model for rotation of two or three dihedral angles.
Asbjörn Holt, Gunnar Karlström
(2008) Journal of Computational Chemistry, 29 p.1905-1911
Journal articleInclusion of the quadrupole moment when describing polarization. The effect of the dipole-quadrupole polarizability.
Asbjörn Holt, Gunnar Karlström
(2008) Journal of Computational Chemistry, 29 p.2033-2038
Journal articlePlanar or nonplanar: What is the structure of urea in aqueous solution?
Jose Manuel Hermida-Ramon, Anders Öhrn, Gunnar Karlström
(2007) The Journal of Physical Chemistry Part B, 111 p.11511-11515
Journal articleMany-body polarization, a cause of asymmetric solvation of ions and quadrupoles
Anders Öhrn, Gunnar Karlström
(2007) Journal of Chemical Theory and Computation, 3 p.1993-2001
Journal articleHybrid Monte Carlo simulations of vertical electronic transitions in acetone in aqueous solution
Anders Öhrn, Gunnar Karlström
(2007) Theoretical Chemistry Accounts, 117 p.441-449
Journal articleFormation of ferroelectric domains observed in simulation of droplets of dipolar particles
Gunnar Karlström
(2007) The Journal of Physical Chemistry Part B, 111 p.10745-10758
Journal articleAccuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models
Pär Söderhjelm, Jesper Wisborg Krogh, Gunnar Karlström, Ulf Ryde, Roland Lindh
(2007) Journal of Computational Chemistry, 28 p.1083-1090
Journal articleTheoretical predictions of the coordination of water to the polar headgroup of dimethyldodecylamine-N-oxide
Anders Öhrn, Gunnar Karlström
(2007) ChemPhysChem, 8 p.523-525
Journal articleSimulations of the absorption and fluorescence of indole in aqueous solution and at a nonpolar/polar interface
Anders Öhrn, Gunnar Karlström
(2007) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111 p.10468-10477
Journal articleThe charge capacity of the chemical bond
Asbjörn Holt, Gunnar Karlström, Roland Lindh
(2007) Chemical Physics Letters, 436 p.297-301
Journal articleCombined quantum chemical statistical mechanical simulations of Mg2+, Ca2+ and Sr2+ in water
Terie Tofteberg, Anders Öhrn, Gunnar Karlström
(2006) Chemical Physics Letters, 429 p.436-439
Journal articleComparison of overlap-based models for approximating the exchange-repulsion energy
Pär Söderhjelm, Gunnar Karlström, Ulf Ryde
(2006) Journal of Chemical Physics, 124
Journal articleA theoretical study of the solvent shift to the n -> pi* transition in formaldehyde with an effective discrete quantum chemical solvent model including non-electrostatic perturbation
Anders Öhrn, Gunnar Karlström
(2006) Molecular Physics, 104 p.3087-3099
Journal articlepi* -> n fluorescence transition in formaldehyde in aqueous solution: A combined quantum chemical statistical mechanical study
Anders Öhrn, Gunnar Karlström
(2006) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 110 p.1934-1942
Journal articleOn the solvation of ions in small water droplets
Daniel Hagberg, S Brdarski, Gunnar Karlström
(2005) The Journal of Physical Chemistry Part B, 109 p.4111-4117
Journal articleIntermolecular vibrations of the water trimer, a matrix isolation study
Justinas Ceponkus, Gunnar Karlström, Bengt Nelander
(2005) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109 p.7859-7864
Journal articleThe coordination of uranyl in water: A combined quantum chemical and molecular simulation study
Daniel Hagberg, Gunnar Karlström, Björn Roos, L Gagliardi
(2005) Journal of the American Chemical Society, 127 p.14250-14256
Journal articleLocal properties of quantum chemical systems: The LoProp approach
Laura Gagliardi, Roland Lindh, Gunnar Karlström
(2004) Journal of Chemical Physics, 121 p.4494-4500
Journal articleA combined quantum chemical statistical mechanical simulation of the hydration of Li+, Na+, F-, and Cl-
Anders Öhrn, Gunnar Karlström
(2004) The Journal of Physical Chemistry Part B, 108 p.8452-8459
Journal articleStudy of the hydronium ion in water. A combined quantum chemical and statistical mechanical treatment
J M Hermida-Ramon, Gunnar Karlström
(2004) Journal of molecular structure. Theochem, 712 p.167-173
Journal articleMolcas: a program package for computational chemistry.
Gunnar Karlström, Roland Lindh, Per-Åke Malmqvist, Björn Roos, Ulf Ryde, et al.
(2003) Computational Materials Science, 28 p.222-239
Journal articleStudy of the hydroxyl ion in water. A combined quantum chemical and statistical mechanical treatment.
J M Hermida-Ramon, Gunnar Karlström
(2003) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 107 p.5217-5222
Journal articleThe water-hydroxyl radical complex: A matrix isolation study.
Anders Engdahl, Gunnar Karlström, Bengt Nelander
(2003) Journal of Chemical Physics, 118 p.7797-7802
Journal articleOn the influence of the basis set superposition error on calculated vibrational frequencies
Jose Manuel Hermida-Ramón, Gunnar Karlström, Bengt Nelander
(2003) Theoretical Chemistry Accounts, 110 p.190-195
Journal articleInter- and intramolecular potential for the N-formylglycinamide-water system. A comparison between theoretical modeling and empirical force fields
J M Hermida-Ramon, S Brdarski, Gunnar Karlström, Ulf Berg
(2003) Journal of Computational Chemistry, 24 p.161-176
Journal articleOn the effective interaction between an ion and a hydrophobic particle in polar solvents. A step towards an understanding of the hofmeister effect?
Gunnar Karlström
(2003) Physical Chemistry Chemical Physics, 5 p.3238-3246
Journal articleOn the influence of dielectric saturation and medium granularity on ion-ion interaction and reorganization energies associated with electron-transfer processes in condensed matter
Gunnar Karlström
(2002) The Journal of Physical Chemistry Part B, 106 p.5302-5311
Journal articleThe ammonia dimer equilibrium dissociation energy: convergence to the basis set limit at the correlated level
L Stalring, M Schutz, Roland Lindh, Gunnar Karlström, Per-Olof Widmark
(2002) Molecular Physics, 100 p.3389-3399
Journal articleAnalysis of the relative stability of cis-urocanic acid in condensed phase. The use of Langevin dipoles
JM Hermida-Ramon, Gunnar Karlström, Roland Lindh
(2002) The Journal of Physical Chemistry Part B, 106 p.7115-7120
Journal articleToward an understanding of the Hofmeister effect: A computer game with dipoles and an ion
Gunnar Karlström, Daniel Hagberg
(2002) The Journal of Physical Chemistry Part B, 106 p.11585-11592
Journal articleLattice model calculations of interactions between proteins and surface grafted polymers with tethered affinity ligands
Gunnar Karlström, Hans-Olof Johansson
(2001) Colloids and Surfaces B: Biointerfaces, 20 p.245-256
Journal articleSeparation of amino acids and peptides by temperature induced phase partitioning. Theoretical model for partitioning and experimental data
Hans-Olof Johansson, Gunnar Karlström, Folke Tjerneld
(1999) Bioseparation, 7 p.259-267
Journal articleDriving forces for phase separation and partitioning in aqueous two-phase systems
Hans-Olof Johansson, Gunnar Karlström, Folke Tjerneld, Charles A Haynes
(1998) Journal of Chromatography. B, 711 p.3-17
Journal articleTemperature-induced phase partitioning of peptides in water solutions of ethylene oxide and propylene oxide random copolymers
Hans-Olof Johansson, Gunnar Karlström, Folke Tjerneld
(1997) Biochimica et Biophysica Acta. General Subjects, 1335 p.315-325
Journal articleEffect of solute hydrophobicity on phase behaviour in solutions of thermoseparating polymers
Hans-Olof Johansson, Gunnar Karlström, Folke Tjerneld
(1997) Colloid and Polymer Science, 275 p.458-466
Journal articleEffects of ions on partitioning of serum albumin and lysozyme in aqueous two-phase systems containing ethylene oxide/propylene oxide co-polymers
Hans-Olof Johansson, Gabriella Lundh, Gunnar Karlström, Folke Tjerneld
(1996) Biochimica et Biophysica Acta. General Subjects, 1290 p.289-298
Journal articleEffects of hydrophobicity and counter ions on the partitioning of amino acids in thermoseparating Ucon-water two-phase systems.
Hans-Olof Johansson, Gunnar Karlström, Bo Mattiasson, Folke Tjerneld
(1995) Bioseparation, 5 p.269-269
Journal articleOn the use of clouding polymers for purifying chemical systems
Gunnar Karlström, Hans-Olof Johansson, Folke Tjerneld
(1995) Cellulose and Cellulose Derivatives : Physico-Chemical Aspects and Industrial Applications
Book chapterExperimental and Theoretical Study of Phase Separation in Aqueous Solutions of Clouding Polymers and Carboxylic Acids
Hans-Olof Johansson, Gunnar Karlström, Folke Tjerneld
(1993) Macromolecules, 26 p.4478-4483
Journal article