화학공학소재연구정보센터
Chemical Physics Letters, Vol.700, 163-175, 2018
The water dimer II: Theoretical investigations
As the archetype of aqueous hydrogen bonding, the water dimer has been extensively studied by both theory and experiment for nearly seven decades. In this article, we present a detailed chronological review of the theoretical advances made using electronic structure methods to address the structure, hydrogen bonding and vibrational spectroscopy of the water dimer, as well as the role of its potential energy surface in the development of classical force fields to describe intermolecular interactions in clusters and the condensed phases of water. (C) 2018 Published by Elsevier B.V.