Gunnar Karlström

发表

A NEMO potential that includes the dipole–quadrupole and quadrupole–quadrupole polarizability

Jonas Boström, Roland Lindh, Asbjørn Holt, 2010, J. Comput. Chem..

Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models

Roland Lindh, Pär Söderhjelm, Ulf Ryde, 2007, J. Comput. Chem..

An intramolecular induction correction model of the molecular dipole moment

Asbjørn Holt, Gunnar Karlström, G. Karlström, 2008, J. Comput. Chem..

Theoretical study of intermolecular potential energy surface for HCl dimer: Example of nonspherical atom-atom exchange repulsion interaction

Ola Engkvist, Gunnar Karlström, Jose Manuel Hermida-Ramón, 1998, J. Comput. Chem..

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

Asbjørn Holt, Gunnar Karlström, 2008, J. Comput. Chem..

Induction correction model for rotation of two or three dihedral angles

Asbjørn Holt, Gunnar Karlström, G. Karlström, 2008, J. Comput. Chem..

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

Asbjørn Holt, Gunnar Karlström, G. Karlström, 2008, J. Comput. Chem..

Inter‐ and intramolecular potential for the N‐formylglycinamide‐water system. A comparison between theoretical modeling and empirical force fields

Ulf Berg, Gunnar Karlström, Jose Manuel Hermida-Ramón, 2003, J. Comput. Chem..

On the Relation between Retention Indexes and the Interaction between the Solute and the Column in Gas-Liquid Chromatography

Ola Engkvist, Roland Lindh, Gunnar Karlström, 1996, J. Chem. Inf. Comput. Sci..

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

Gunnar Karlström, Jose M. Hermida-Ramón, G. Karlström, 2004 .

Dynamical damping based on energy minimization for use ab initio molecular orbital SCF calculations

Gunnar Karlström, G. Karlström, 1979 .

On the effective interaction between an ion and a hydrophobic particle in polar solvents. A step towards an understanding of the Hofmeister effect

Gunnar Karlström, G. Karlström, 2003 .

Solvent Effects on Electronic Spectra Studied by Multiconfigurational Perturbation Theory

Markus P. Fülscher, Luis Serrano-Andrés, Gunnar Karlström, 1997 .

Prototropic charge migration in water. Part 1.—Rate constants in light and heavy water and in salt solution from oxygen-17 spin relaxation

Gunnar Karlström, G. Karlström, B. Halle, 1983 .

Molecular dynamics study of water adopting a potential function with explicit atomic dipole moments and anisotropic polarizabilities

Gunnar Karlström, Per Linse, Per-Olof Åstrand, 1995 .

Thermal gelation of nonionic cellulose ethers and ionic surfactants in water

Anders Carlsson, Gunnar Karlström, Björn Lindman, 1990 .

ON THE USE OF A HESSIAN MODEL FUNCTION IN MOLECULAR GEOMETRY OPTIMIZATIONS

Roland Lindh, Gunnar Karlström, Per-Åke Malmqvist, 1995 .

The water-hydroxyl radical complex: A matrix isolation study.

Gunnar Karlström, Bengt Nelander, G. Karlström, 2003 .

Intermolecular Potential for the 1,2-Dimethoxyethane−Water Complex

Ola Engkvist, Gunnar Karlström, Per-Olof Åstrand, 1996 .

Direct self-consistent reaction field with Pauli repulsion: solvation effects on methylene peroxide

Roland Lindh, Björn O. Roos, Gunnar Karlström, 1996 .

Local properties of quantum chemical systems: the LoProp approach.

Roland Lindh, Gunnar Karlström, Laura Gagliardi, 2004, The Journal of chemical physics.

Accuracy of typical approximations in classical models of intermolecular polarization.

Pär Söderhjelm, Ulf Ryde, Gunnar Karlström, 2008, The Journal of chemical physics.

Electronic Polarization of a Water Molecule in Water. A Combined Quantum Chemical and Statistical Mechanical Treatment

Gunnar Karlström, Nigel W. Moriarty and, 1996 .

On the possibility of improving the integral evaluation section in ab initio Hartree–Fock calculations on large molecules

Gunnar Karlström, 1981 .

The water dimer interaction energy: Convergence to the basis set limit at the correlated level

Roland Lindh, Per-Olof Widmark, Gunnar Karlström, 1997 .

The inclusion of electron correlation in intermolecular potentials: applications to the formamide dimer and liquid formamide

Gunnar Karlström, Per-Olof Åstrand, Steve Brdarski, 2000 .