Hydrogen bond cooperativity and anticooperativity within the water hexamer.
Abstract
We propose a hierarchy of H-bond strength in terms of the single and double character of the involved donor and acceptors within different structures of (H2O)6.
Type
Publication
Physical chemistry chemical physics : PCCP
Evelio Francisco Miguélez
Associate Professor
Associate Professor of Physical Chemistry at the University of Oviedo. Expert in the development and application of quantum chemical topology methods, IQA analysis, and electron correlation descriptors.