Category Archives: Computational Chemistry

New paper published on Journal of Physical Chemistry A

The paper I submitted some time ago at the Journal of Physical Chemistry A has been published: Borini S, Limacher PA, Luethi HP, “Structural Features Analysis and Nonlinearity of End-Cap-Substituted Polyacetylenes”, DOI: 10.1021/jp908439x
I already wrote about the findings reported in this paper at the time it was accepted. It is a very nice paper, and [...]

Nonlinear optics with polymers

Of the many things I posted, I never had the chance to write something about my direct scientific activity. Recently I worked on optical properties of polyenes. A paper has been published recently on Journal of Chemical Physics. Another one is submitted right now, and a third is in preparation.
Molecules interact with light. This should [...]

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