Cultural advice

The Australian National University acknowledges, celebrates and pays our respects to the Ngunnawal and Ngambri people of the Canberra region and to all First Nations Australians on whose traditional lands we meet and work, and whose cultures are among the oldest continuing cultures in human history.

Aboriginal and Torres Strait Islander peoples are advised that ANU Library collections may include images, names, voices, and other representations of deceased persons.

Material in the collection may contain terms, language or views that reflect the period in which the item was created and may be considered inappropriate today.

DFT calculation of static first hyperpolarizabilities and linear optical properties of metal alkynyl complexes

Thumbnail Image

Date

2014

Authors

Kulasekera, Erandi
Petrie, Simon
Stranger, Robert
Humphrey, Mark

Journal Title

Journal ISSN

Volume Title

Publisher

American Chemical Society

Abstract

Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations are reported for a set of organometallic compounds for which the first hyperpolarizability values, β, have previously been determined in the laboratory. Th

Description

Keywords

Citation

URI

http://hdl.handle.net/1885/63443

Collections

ANU Research Publications

Source

Organometallics

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1021/om500124c

Restricted until

2037-12-31

Downloads

File
Description
01_Kulasekera_DFT_calculation_of_static_2014.pdf (2.94 MB)

DSpace software copyright © 2002-2026 LYRASIS