Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5374683 | Chemical Physics | 2011 | 4 Pages |
Abstract
⺠PLS regression predicts static β values of 35 push-pull organic molecules. ⺠PLS equations show correlation of β with structural-electronic parameters. ⺠PLS regression selects best components of push-bridge-pull nonlinear compounds. ⺠PLS analyses can be routinely used to select novel second-order materials.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
A.E. de A. Machado, A.A. de S. da Gama, B. de Barros Neto,