Publications | Lund University Publications

A simple correlation-corrected Poisson-Boltzmann theory Forsman, Jan ^LU (2004) In The Journal of Physical Chemistry Part B 108(26). p.9236-9245

Contribution to journal › Article

Density functional study of surface forces in solutions containing star-shaped polymers Woodward, C E and Forsman, Jan ^LU (2004) In Macromolecules 37(18). p.7034-7041

Contribution to journal › Article

Evaluating the accuracy of a density functional theory of polymer solutions with additive hard sphere diameters Forsman, Jan ^LU and Woodward, C E (2004) In Journal of Chemical Physics 120(1). p.506-510

Contribution to journal › Article

2MOLCAS as a development platform for quantum chemistry software Veryazov, Valera ^LU

; Widmark, Per-Olof ^LU ; Serrano-Andres, Luis ; Lindh, Roland ^LU and Roos, Björn ^LU (2004) In International Journal of Quantum Chemistry 100(4). p.626-635

Contribution to journal › Article

Main group atoms and dimers studied with a new relativistic ANO basis set Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU

and Widmark, Per-Olof ^LU (2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(15). p.2851-2858

Contribution to journal › Article

Simulation of phase equilibria in lamellar surfactant systems Turesson, Martin ^LU ; Forsman, Jan ^LU ; Åkesson, Torbjörn ^LU and Jönsson, Bo ^LU (2004) In Langmuir 20(12). p.5123-5126

Contribution to journal › Article

Surface forces in polymer fluids: A comparison between simulations and density functional theory Forsman, Jan ^LU ; Broukhno, Andrei ^LU ; Jönsson, Bo ^LU and Åkesson, Torbjörn ^LU (2004) In Journal of Chemical Physics 120(1). p.413-416

Contribution to journal › Article

An improved density functional description of hard sphere polymer fluids at low density. Forsman, Jan ^LU and Woodward, C E (2003) In Journal of Chemical Physics 119(4). p.1889-1892

Contribution to journal › Article

Depletion and structural forces in confined polyelectrolyte solutions Jönsson, Bo ^LU ; Broukhno, Andrei ^LU ; Forsman, Jan ^LU and Åkesson, Torbjörn ^LU (2003) In Langmuir 19(23). p.9914-9922

Contribution to journal › Article

Density functional studies of solvation forces in hard sphere polymer solutions confined between adsorbing walls. I. Solvent effects and dependence on surface potential range. Forsman, Jan ^LU ; Woodward, C E and Freasier, B C (2003) In Journal of Chemical Physics 118(16). p.7672-7681

Contribution to journal › Article

Molcas programmer’s guide Krogh, Jesper Wisborg ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Roos, Björn ^LU ; Veryazov, Valera ^LU

and Widmark, Per-Olof ^LU (2003)

Book/Report › Report

Molcas: a program package for computational chemistry. Karlström, Gunnar ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Roos, Björn ^LU ; Ryde, Ulf ^LU

; Veryazov, Valera ^LU

; Widmark, Per-Olof ^LU ; Cossi, M ; Schimmelpfennig, B and Neogrady, P , et al. (2003) Symposium on Software Development for Process and Materials Disign In Computational Materials Science 28(2). p.222-239

Contribution to journal › Article

A Mesoscopic Model for Protein-Protein Interactions in Solution Lund, Mikael ^LU

and Jönsson, Bo ^LU (2003) In Biophysical Journal 85(5). p.2940-2947

Contribution to journal › Article

Activity coefficients in sea water using monte carlo simulations. Lund, Mikael ^LU

; Jönsson, Bo ^LU and Pedersen, T (2003) In Marine Chemistry 80(2-3). p.95-101

Contribution to journal › Article

Density Functional Study of Surface Forces in Athermal Polymer Solutions with Addititve Hard Sphere Interactions. Solvent Effects, Capillary Condensation and Capillary-Induced Surface Transitions. Forsman, Jan ^LU ; Woodward, Clifford E. and Freasier, Ben C. (2002) In Journal of Chemical Physics 117(4). p.1915-1926

Contribution to journal › Article