Publications | Lund University Publications

Simulating equilibrium surface forces in polymer solutions using a canonical grid method Turesson, Martin ^LU ; Woodward, Clifford E. ; Åkesson, Torbjörn ^LU and Forsman, Jan ^LU (2008) In The Journal of Physical Chemistry Part B 112(32). p.9802-9809

Contribution to journal › Article

Simulations of surface forces in polyelectrolyte solutions. Turesson, Martin ^LU ; Woodward, Clifford E ; Åkesson, Torbjörn ^LU and Forsman, Jan ^LU (2008) In The Journal of Physical Chemistry Part B 112(16). p.5116-5125

Contribution to journal › Article

Weak- and strong-coupling electrostatic interactions between asymmetrically charged planar surfaces Kanduc, M. ; Trulsson, Martin ^LU

; Naji, A. ; Burak, Y. ; Forsman, Jan ^LU and Podgornik, R. (2008) In Physical Review E (Statistical, Nonlinear, and Soft Matter Physics) 78(6).

Contribution to journal › Article

Specific ion binding to nonpolar surface patches of proteins Lund, Mikael ^LU

; Vrbka, Lubos and Jungwirth, Pavel (2008) In Journal of the American Chemical Society 130(35). p.3-11582

Contribution to specialist publication or newspaper › Specialist publication article

FAUNUS: An object oriented framework for molecular simulation Lund, Mikael ^LU

; Trulsson, Martin ^LU

and Persson, Björn ^LU (2008) In Source Code for Biology and Medicine 3.

Contribution to journal › Article

Polyelectrolytes. Physicochemical Aspects and Biological Significance Ullner, Magnus ^LU (2007) p.1-39

Chapter in Book/Report/Conference proceeding › Book chapter

Hydration of trimethylamine-N-oxide and of dimethyldodecylamine-N-oxide: An ab initio study Kocherbitov, Vitaly ^LU ; Veryazov, Valera ^LU

and Söderman, Olle ^LU (2007) In Journal of molecular structure. Theochem 808(1-3). p.111-118

Contribution to journal › Article

A simple correlation-corrected theory of systems described by screened Coulomb interactions Forsman, Jan ^LU (2007) In Langmuir 23(10). p.5515-5521

Contribution to journal › Article

Surface forces at restricted equilibrium, in solutions containing finite or infinite semiflexible polymers Forsman, Jan ^LU and Woodward, Clifford E. (2007) In Macromolecules 40(23). p.8396-8408

Contribution to journal › Article

Simulations and density functional calculations of surface forces in the presence of semiflexible polymers Turesson, Martin ^LU ; Forsman, Jan ^LU and Åkesson, Torbjörn ^LU (2007) In Physical Review E (Statistical, Nonlinear, and Soft Matter Physics) 76(2).

Contribution to journal › Article

Interactions between charged surfaces immersed in a polyelectrolyte solution Turesson, Martin ^LU ; Åkesson, Torbjörn ^LU and Forsman, Jan ^LU (2007) In Langmuir 23(19). p.9555-9558

Contribution to journal › Article

Ab initio characterization of C-5 Masso, H. ; Veryazov, Valera ^LU

; Malmqvist, Per-Åke ^LU ; Roos, Björn ^LU and Senent, M. L. (2007) In Journal of Chemical Physics 127(15).

Contribution to journal › Article

Repulsion between oppositely charged macromolecules or particles Trulsson, Martin ^LU

; Jönsson, Bo ^LU ; Åkesson, Torbjörn ^LU ; Forsman, Jan ^LU and Labbez, Christophe ^LU (2007) In Langmuir 23(23). p.11562-11569

Contribution to journal › Article

Implications of a high dielectric constant in proteins Lund, Mikael ^LU

; Jönsson, Bo ^LU and Woodward, Clifford (2007) In Journal of Chemical Physics 126(22).

Contribution to journal › Article

Electrostatics in macromolecular solutions Jönsson, Bo ^LU ; Lund, Mikael ^LU

and Barroso da Silva, Fernando L. (2007) Conference on Food Colloids 2006 302. p.129-154

Chapter in Book/Report/Conference proceeding › Paper in conference proceeding

Conformational change of giant DNA with added salt as revealed by single molecular observation Makita, Naoko ; Ullner, Magnus ^LU and Yoshikawa, Kenichi (2006) In Macromolecules 39(18). p.6200-6206

Contribution to journal › Article

How accurate is the CASPT2 method? Azizi, Zahra ^LU ; Roos, Björn ^LU and Veryazov, Valera ^LU

(2006) In Physical Chemistry Chemical Physics 8(23). p.2727-2732

Contribution to journal › Article

Ion adsorption and Lamellar-Lamellar transitions in charged bilayer systems Forsman, Jan ^LU (2006) In Langmuir 22(7). p.2975-2978

Contribution to journal › Article

Polyelectrolyte mediated forces between macromolecules Forsman, Jan ^LU (2006) In Current Opinion in Colloid & Interface Science 11(5). p.290-294

Contribution to journal › Scientific review

Surface forces in solutions containing semiflexible polymers Forsman, Jan ^LU and Woodward, CE (2006) In Macromolecules 39(3). p.1261-1268

Contribution to journal › Article

Surface transition in athermal polymer solutions Forsman, Jan ^LU and Woodward, CE (2006) In Physical Review E (Statistical, Nonlinear, and Soft Matter Physics) 73(5).

Contribution to journal › Letter

Surface forces in solutions containing rigid polymers: Approaching the rod limit Forsman, Jan ^LU and Woodward, CE (2006) In Macromolecules 39(3). p.1269-1278

Contribution to journal › Article

A theoretical study of singlet low-energy excited states of the benzene dimer Rocha-Rinza, Tomas ^LU ; De Vico, Luca ^LU ; Veryazov, Valera ^LU

and Roos, Björn ^LU (2006) In Chemical Physics Letters 426(4-6). p.268-272

Contribution to journal › Article

Density functional theory for flexible and semiflexible polymers of infinite length Woodward, Clifford E and Forsman, Jan ^LU (2006) In Physical Review E (Statistical, Nonlinear, and Soft Matter Physics) 74(1).

Contribution to journal › Article

Surface forces mediated by charged polymers: Effects of intrinsic chain stiffness Turesson, Martin ^LU ; Forsman, Jan ^LU and Åkesson, Torbjörn ^LU (2006) In Langmuir 22(13). p.5734-5741

Contribution to journal › Article

Repulsion between oppositely charged surfaces in multivalent electrolytes Trulsson, Martin ^LU

; Jönsson, Bo ^LU ; Åkesson, Torbjörn ^LU ; Forsman, Jan ^LU and Labbez, Christophe (2006) In Physical Review Letters 97(6).

Contribution to journal › Article

Electrostatic Interactions In and Between Biomolecules Lund, Mikael ^LU

(2006)

Thesis › Doctoral thesis (compilation)

Driving forces behind ion-ion correlations Lund, Mikael ^LU

and Jönsson, Bo ^LU (2006) In Journal of Chemical Physics 125(23).

Contribution to journal › Article

On the complexation of proteins and polyelectrolytes da Silva, FLB ; Lund, Mikael ^LU

; Jönsson, Bo ^LU and Åkesson, Torbjörn ^LU (2006) In The Journal of Physical Chemistry Part B 110(9). p.4459-4464

Contribution to journal › Article

Prewetting and layering in athermal polymer solutions Forsman, Jan ^LU and Woodward, C E (2005) In Physical Review Letters 94(11). p.1-118301

Contribution to journal › Article

New relativistic ANO basis sets for transition metal atoms Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU

and Widmark, Per-Olof ^LU (2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(29). p.6575-6579

Contribution to journal › Article

New relativistic ANO basis sets for actinide atoms Roos, Björn ^LU ; Lindh, Roland ^LU ; Malmqvist, Per-Åke ^LU ; Veryazov, Valera ^LU

and Widmark, Per-Olof ^LU (2005) In Chemical Physics Letters 409(4-6). p.295-299

Contribution to journal › Article

On the charge regulation of proteins Lund, Mikael ^LU

and Jönsson, Bo ^LU (2005) In Biochemistry 44(15). p.5722-5727

Contribution to journal › Article

Enhanced protein adsorption due to charge regulation Lund, Mikael ^LU

; Åkesson, Torbjörn ^LU and Jönsson, Bo ^LU (2005) In Langmuir 21(18). p.8385-8388

Contribution to journal › Article

Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers Roos, Björn ^LU ; Veryazov, Valera ^LU

and Widmark, Per-Olof ^LU (2004) In Theoretical Chemistry Accounts 111(2-6). p.345-351

Contribution to journal › Article

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

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

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

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

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

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

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

A simplified amino acid potential for use in structure predictions of proteins Wallqvist, A. and Ullner, M. ^LU (1994) In Proteins: Structure, Function and Bioinformatics 18(3). p.267-280

Contribution to journal › Article