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

Socpus ID

53049089910 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/53049089910

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