Third-Order Nonlinear Optical Properties of a Carboxylic Acid Derivative

Third-Order Nonlinear Optical Properties of a Carboxylic Acid Derivative

We report a study of the structural and electrical properties of a carboxylic acid derivative (CAD) with structural formula  ((E)-pent-2-enoic acid). Using the Møller-Plesset Perturbation Theory (MP2)  and the Density Functional Theory (DFT/CAM-B3LYP) with the  basis set the dipole moment, the linea...

Full description

Bibliographic Details
Main Authors: Clodoaldo Valverde, Sizelizio Alves de Lima e Castro, Gabriela Rodrigues Vaz, Jorge Luiz de Almeida Ferreira, Basílio Baseia, Francisco A. P. Osório
Format: Article
Language:English
Published: Slovenian Chemical Society 2018-09-01
Series:Acta Chimica Slovenica
Subjects:
first and second hyperpolarizabilities
Hirshfeld surface analysis
third-order susceptibility
Online Access:https://journals.matheo.si/index.php/ACSi/article/view/4462

Internet

https://journals.matheo.si/index.php/ACSi/article/view/4462

Similar Items