Marc Welker

<i>Ab</i> <i>initio</i> calculation of the deuterium quadrupole coupling in liquid water

Rolf Eggenberger, Stefan Gerber, Hanspeter Huber et al. · The Journal of Chemical Physics · 1992 · 88 citations

Engineering, Nuclear Physics, Temperature Dependence +16

A new <i>ab initio</i> potential for the neon dimer and its application in molecular dynamics simulations of the condensed phase

Rolf Eggenberger, Stefan Gerber, Hanspeter Huber et al. · Molecular Physics · 1994 · 45 citations

Engineering, Computational Chemistry, Chemistry +18

Argon in condensed phase: Quantitative calculations of structural, thermodynamic, and transport properties from pure theory

Elena Ermakova, Jan Solca, Hanspeter Huber et al. · The Journal of Chemical Physics · 1995 · 36 citations

Engineering, Experimental Thermodynamics, Computational Chemistry +25

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

The use of molecular dynamics simulations with<i>ab initio</i>SCF calculations for the determination of the oxygen-17 quadrupole coupling constant in liquid water

Rolf Eggenberger, Stefan Gerber, Hanspeter Huber et al. · Molecular Physics · 1993 · 35 citations

Engineering, Computational Chemistry, Chemistry +19