Is temperature dependant liquid crystal studies possible in dft using gaussian ?

Debanjan Bhattacharjee @Debanjan-Bhattacharjee

22 April 2017 1 2K Report

Is temperature dependant study possible in dft using gaussian 09 ?

What is the keyword and basis set for temperature dependant study in gaussian 09?

Yes, temperature dependant liquid crystal studies possible in dft using gaussian? For basis set and functional you search several recent articles of spectro chimica acta, liquid crystals, journal of molecular liquids. I have given some papers below:

http://doi.org/10.1016/j.vibspec.2013.09.002

http://doi.org/10.1016/j.molstruc.2016.05.095

DOI: 10.1016/j.saa.2014.02.112

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