Title

Conformational dependence of the first molecular hyperpolarizability in the computational design of nonlinear optical materials for optical switching

Authors

Authors

K. Y. Suponitsky; A. E. Masunov;M. Y. Antipin

Comments

Authors: contact us about adding a copy of your work at STARS@ucf.edu

Abbreviated Journal Title

Mendeleev Commun.

Keywords

SECOND-HARMONIC GENERATION; ORGANIC MATERIALS; Chemistry, Multidisciplinary

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.

Journal Title

Mendeleev Communications

Volume

18

Issue/Number

5

Publication Date

1-1-2008

Document Type

Article

DOI Link

http://dx.doi.org/10.1016/j.mencom.2008.09.013

Language

English

First Page

265

Last Page

267

WOS Identifier

WOS:000260948000013

ISSN

0959-9436

Recommended Citation

"Conformational dependence of the first molecular hyperpolarizability in the computational design of nonlinear optical materials for optical switching" (2008). Faculty Bibliography 2000s. 1036.
https://stars.library.ucf.edu/facultybib2000/1036