Articles with "huckel" as a keyword



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Controllable Photophysical and Nonlinear Properties in Conformation Isomerization of Macrocyclic [32]Octaphyrin(1.0.1.0.1.0.1.0) Involving Hückel and Möbius Topologies

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Published in 2019 at "Journal of Physical Chemistry C"

DOI: 10.1021/acs.jpcc.9b09033

Abstract: The conversions of photophysical and nonlinear optical (NLO) properties in [32]octaphyrins(1.0.1.0.1.0.1.0) following macrocyclic isomerization between Huckel and Mobius topologies have been studied in detail by means of quantum chemistry calculations. Compared to their quasi-planar analogues,… read more here.

Keywords: nonlinear properties; controllable photophysical; chemistry; huckel ... See more keywords