Journal of Chemical Physics, Vol.102, No.13, 5551-5565, 1995
Potential-Energy Surfaces of Van-der-Waals Complexes of Water and Hydrogen Halides Modeled Using Distributed Multipoles
Keywords:MOLECULAR CHARGE-DISTRIBUTION;VANDERWAALS COMPLEXES;GEOMETRY OPTIMIZATION;TRANSITION-STATES;STATIONARY-POINTS;ABINITIO CALCULATION;INTERNAL-ROTATION;HIGH-RESOLUTION;CARBON-DIOXIDE;HF DIMER