Title
Conformational Dependence Of The First Molecular Hyperpolarizability In The Computational Design Of Nonlinear Optical Materials For Optical Switching
Abstract
In certain cases for conjugated molecules, which can often be found in several conformations close in energy, hyperpolarizabilities of the rotamers differ by less than 20%, which is comparable to uncertainty in experimental data and this makes it possible to consider only one representative conformation in the process of computational design. © 2008.
Publication Date
9-1-2008
Publication Title
Mendeleev Communications
Volume
18
Issue
5
Number of Pages
265-267
Document Type
Article
Personal Identifier
scopus
DOI Link
https://doi.org/10.1016/j.mencom.2008.09.013
Copyright Status
Unknown
Socpus ID
53049089910 (Scopus)
Source API URL
https://api.elsevier.com/content/abstract/scopus_id/53049089910
STARS Citation
Suponitsky, Kyrill Yu; Masunov, Artem E.; and Antipin, Mikhail Yu, "Conformational Dependence Of The First Molecular Hyperpolarizability In The Computational Design Of Nonlinear Optical Materials For Optical Switching" (2008). Scopus Export 2000s. 10005.
https://stars.library.ucf.edu/scopus2000/10005