On the Relation between Retention Indexes and the Interaction between the Solute and the Column in Gas-Liquid Chromatography. - Ola Engkvist; Piotr Borowski; Agneta Bemgård; Gunnar Karlström; Roland Lindh; Anders Colmsjö (J. Chem. Inf. Comput. Sci., 1996)

Theoretical study of intermolecular potential energy surface for HCl dimer: Example of nonspherical atom-atom exchange repulsion interaction. - Jose Manuel Hermida-Ramón; Ola Engkvist; Gunnar Karlström (J. Comput. Chem., 1998)

Inter- and intramolecular potential for the N-formylglycinamide-water system. A comparison between theoretical modeling and empirical force fields. - Jose Manuel Hermida-Ramón; Steve Brdarski; Gunnar Karlström; Ulf Berg (J. Comput. Chem., 2003)

Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models. - Pär Söderhjelm; J. W. Krogh; Gunnar Karlström; Ulf Ryde; Roland Lindh (J. Comput. Chem., 2007)

An intramolecular induction correction model of the molecular dipole moment. - Asbjørn Holt; Gunnar Karlström (J. Comput. Chem., 2008)

Induction correction model for rotation of two or three dihedral angles. - Asbjørn Holt; Gunnar Karlström (J. Comput. Chem., 2008)

Inclusion of the quadrupole moment when describing polarization. The effect of the dipole-quadrupole polarizability. - Asbjørn Holt; Gunnar Karlström (J. Comput. Chem., 2008)

A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability. - Asbjørn Holt; Jonas Boström; Gunnar Karlström; Roland Lindh (J. Comput. Chem., 2010)