Fluorine conformational effects characterized by energy decomposition analysis
Abstract
Fluorine associated classical and quantum effects are quantified by the interacting quantum atoms method to identify the factors controlling the conformation in organofluorine molecules.
Type
Publication
Physical Chemistry Chemical Physics
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.