Journal of Chemical Physics, Vol.102, No.1, 310-317, 1995
Harmonic Vibrational Frequencies of the Water Monomer and Dimer - Comparison of Various Levels of Ab-Initio Theory
Keywords:INFRARED PREDISSOCIATION SPECTRA;FORCE-CONSTANT CALCULATIONS;SET SUPERPOSITION ERROR;HYDROGEN-BONDED SYSTEMS;FULL CCSDT MODEL;ELECTRON CORRELATION;MOLECULAR-BEAM;INTERMOLECULAR INTERACTIONS;ABINITIO CALCULATIONS;THERMAL-CONDUCTIVITY