Results 241 to 244 of about 631,655 (244)

Proton Transfer 200 Years after von Grotthuss: Insights from Ab Initio Simulations

ChemPhysChem, 2006
exaly  

Convergence testing of the analytic representation of an ab initio dipole moment function for water: Improved fitting yields improved intensities

Journal of Chemical Physics, 2000
exaly  

The Ab Initio Method

2008
openaire   +1 more source

Ab initio Calculations

2006
openaire   +1 more source