Gunnar Karlström
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- 2019
-
Mark
Structure and spectrum of the hydrated electron. A combined quantum chemical statistical mechanical simulation
(
- Contribution to journal › Article
- 2016
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Mark
Clouding of nonionic surfactants
(
- Contribution to journal › Scientific review
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Mark
Method for Slater-Type Density Fitting for Intermolecular Electrostatic Interactions with Charge Overlap. I. the Model
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- Contribution to journal › Article
- 2014
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Mark
Dielectric response from lattices of dipoles with fixed orientation.
(
- Contribution to journal › Article
- 2011
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Mark
Increasing thermoelectric performance using coherent transport
(
- Contribution to journal › Article
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Mark
Dipolar Order in Molecular Fluids: II. Molecular Influence
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- Contribution to journal › Article
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Mark
Dipolar Order in Molecular Fluids: I. Toward an Understanding
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- Contribution to journal › Article
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Mark
Calculation of the Molecular and Atomic Properties of Selected Anions in Water.
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- Contribution to journal › Article
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Mark
A unified treatment of polar solvation using electrostatic fluctuations
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- Contribution to journal › Article
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Mark
Structural Anisotropy in Polar Fluids Subjected to Periodic Boundary Conditions
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- Contribution to journal › Article
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Mark
Anisotropic electric fluctuations in polar liquids under spherical confinement
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- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
- 2010
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Mark
On the mechanism of dissolution of cellulose
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- Contribution to journal › Article
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Mark
An exact calculation of the van der Waals interaction between two spheres of classical dipolar fluid.
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- Contribution to journal › Article
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Mark
A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.
(
- Contribution to journal › Article
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Mark
Two-center potential correlations and its use to determine effective ion-ion interactions and dielectric permittivities in dipolar solvents
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- Contribution to journal › Article
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Mark
Retardation effects breaking long-range orientational ordering in dipolar fluids.
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- Contribution to journal › Article
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Mark
Bulk simulation of polar liquids in spherical symmetry.
(
- Contribution to journal › Article
- 2009
-
Mark
Nondielectric long-range solvation of polar liquids in cubic symmetry
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- Contribution to journal › Article
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Mark
The Charge Capacitance of the Chemical Bond: Application to Bonds Containing Metals
(
- Contribution to journal › Article
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Mark
Improvement of the NEMO Potential by Inclusion of Intramolecular Polarization
(
- Contribution to journal › Article
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Mark
Nonionic polymers and surfactants: Temperature anomalies revisited
(
- Contribution to journal › Article
-
Mark
Aqueous solvent effects on structure and lowest electronic transition of methylene peroxide in an explicit solvent model
(
- Contribution to journal › Article
-
Mark
Electric multipole moment fluctuations in polar liquids.
(
- Contribution to journal › Article
- 2008
-
Mark
Inclusion of the quadrupole moment when describing polarization. The effect of the dipole-quadrupole polarizability.
(
- Contribution to journal › Article
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Mark
Induction correction model for rotation of two or three dihedral angles.
(
- Contribution to journal › Article
-
Mark
An intramolecular induction correction model of the molecular dipole moment.
(
- Contribution to journal › Article
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Mark
Accuracy of typical approximations in classical models of intermolecular polarization
(
- Contribution to journal › Article
- 2007
-
Mark
Many-body polarization, a cause of asymmetric solvation of ions and quadrupoles
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- Contribution to journal › Article
-
Mark
Theoretical predictions of the coordination of water to the polar headgroup of dimethyldodecylamine-N-oxide
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- Contribution to journal › Article
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Mark
Simulations of the absorption and fluorescence of indole in aqueous solution and at a nonpolar/polar interface
2007) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 111(42). p.10468-10477(
- Contribution to journal › Article
-
Mark
The charge capacity of the chemical bond
(
- Contribution to journal › Article
-
Mark
Formation of ferroelectric domains observed in simulation of droplets of dipolar particles
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- Contribution to journal › Article
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Mark
Hybrid Monte Carlo simulations of vertical electronic transitions in acetone in aqueous solution
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- Contribution to journal › Article
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Mark
Planar or nonplanar: What is the structure of urea in aqueous solution?
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- Contribution to journal › Article
-
Mark
Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models
(
- Contribution to journal › Article
- 2006
-
Mark
Comparison of overlap-based models for approximating the exchange-repulsion energy
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- Contribution to journal › Article
-
Mark
A 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
(
- Contribution to journal › Article
-
Mark
pi* -> n fluorescence transition in formaldehyde in aqueous solution: A combined quantum chemical statistical mechanical study
2006) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 110(5). p.1934-1942(
- Contribution to journal › Article
-
Mark
Combined quantum chemical statistical mechanical simulations of Mg2+, Ca2+ and Sr2+ in water
(
- Contribution to journal › Article
- 2005
-
Mark
The coordination of uranyl in water: A combined quantum chemical and molecular simulation study
(
- Contribution to journal › Article
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Mark
Intermolecular vibrations of the water trimer, a matrix isolation study
2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(35). p.7859-7864(
- Contribution to journal › Article
-
Mark
On the solvation of ions in small water droplets
(
- Contribution to journal › Article
- 2004
-
Mark
Local properties of quantum chemical systems: The LoProp approach
(
- Contribution to journal › Article
-
Mark
Study of the hydronium ion in water. A combined quantum chemical and statistical mechanical treatment
(
- Contribution to journal › Article
-
Mark
A combined quantum chemical statistical mechanical simulation of the hydration of Li+, Na+, F-, and Cl-
(
- Contribution to journal › Article
- 2003
-
Mark
The water-hydroxyl radical complex: A matrix isolation study.
(
- Contribution to journal › Article
-
Mark
Study of the hydroxyl ion in water. A combined quantum chemical and statistical mechanical treatment.
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(26). p.5217-5222(
- Contribution to journal › Article
-
Mark
On the influence of the basis set superposition error on calculated vibrational frequencies
(
- Contribution to journal › Article
-
Mark
On the effective interaction between an ion and a hydrophobic particle in polar solvents. A step towards an understanding of the hofmeister effect?
(
- Contribution to journal › Article
-
Mark
Inter- and intramolecular potential for the N-formylglycinamide-water system. A comparison between theoretical modeling and empirical force fields
(
- Contribution to journal › Article