Articles with "calculations polyacethylene" as a keyword



Photo by briangarrityphoto from unsplash

Nonlinear optical properties DFT calculations of polyacethylene and copolymers models substituted with aldimines chromophores as side chains

Sign Up to like & get
recommendations!
Published in 2022 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.26971

Abstract: Aldimine derivatives chromophores grafted on polyacetylene oligomers were first designed to investigate the nonlinear optical (NLO) response of the resulting materials using CAMB3LYP method. The effects of different factors such as the chain length separating… read more here.

Keywords: polyacethylene copolymers; nonlinear optical; properties dft; calculations polyacethylene ... See more keywords