Gerold Steinebrunner

Solvent Effect on the NMR Chemical Shieldings in Water Calculated by a Combination of Molecular Dynamics and Density Functional Theory

Vladimir G. Malkin, Olga L. Malkina, Gerold Steinebrunner et al. · Chemistry - A European Journal · 1996 · 94 citations

Engineering, Magnetic Resonance, Solvent Effect +20

Melting curves for neon calculated from pure theory

Jan Solca, Anthony J. Dyson, Gerold Steinebrunner et al. · The Journal of Chemical Physics · 1998 · 76 citations

Engineering, Experimental Thermodynamics, Computational Chemistry +21

Melting curve for argon calculated from pure theory

Jan Solca, Anthony J. Dyson, Gerold Steinebrunner et al. · Chemical Physics · 1997 · 59 citations

Engineering, Physics, Numerical Simulation +3

Structural and thermodynamic properties of fluid carbon dioxide from a new <i>ab initio</i> potential energy surface

Gerold Steinebrunner, Anthony J. Dyson, Barbara Kirchner et al. · The Journal of Chemical Physics · 1998 · 55 citations

Engineering, Carbon Dioxide Dimer, Computational Chemistry +20

Ab initio calculation of the intermolecular potential energy surface of (CO2)2 and first applications in simulations of fluid CO2

Marc Welker, Gerold Steinebrunner, Jan Solca et al. · Chemical Physics · 1996 · 35 citations

Fluid Co2, Engineering, Physics +11