Journal of Chemical Physics, Vol.101, No.11, 9766-9782, 1994
Cooperative Effects in Hydrogen-Bonding - 4th-Order Many-Body Perturbation-Theory Studies of Water Oligomers and of an Infinite Water Chain as a Model for Ice
Keywords:HARTREE-FOCK LIMIT;HARMONIC VIBRATIONAL FREQUENCIES;BONDED COMPLEXES (H2O)2;BASIS-SETS;AB-INITIO;MOLECULAR CALCULATIONS;ABINITIO CALCULATIONS;CORRELATION-ENERGY;PROTON-TRANSFER;DIMER