Theoretical Diagnostics of Second and Third-order Hyperpolarizabilities of Several Acid Derivatives

The density functional theory (DFT) at B3LYP/ 6-31G(d) level has been utilized to achieve the electric dipole moment (μ), static dipole polarizability (α) and first hyperpolarizability (β) values for ferulic acid (1) and chenodeoxycholic acid (2). The time-dependent Hartree-Fock (TDHF) technique as...

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Bibliographic Details

Main Authors:	Karakas, Asli, Ceylan, Yusuf, Karakaya, Mustafa, Taser, Mehmet, Terlemez, B.B., Eren, Nuretdin, El Kouari, Youssef, Lougdali, Meriem, Arof, Abdul Kariem, Sahraoui, Bouchtra
Format:	Article
Published:	De Gruyter 2019
Subjects:	Q Science (General) QC Physics
Online Access:	http://eprints.um.edu.my/24188/ https://doi.org/10.1515/chem-2019-0020
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