Article ID Journal Published Year Pages File Type
5385462 Chemical Physics Letters 2010 6 Pages PDF
Abstract
The NICS for a group of [n]-annulenes have been separated into GIAO contributions and aromaticity/antiaromaticity has been related with the interactions between occupied and unoccupied orbitals.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Contributions from orbital-orbital interactions to nucleus-independent chemical shifts and their relation with aromaticity or antiaromaticity of conjugated molecules
Authors
, , ,