Geometry Optimization, NLO and Electronic Property of Naphazoline: A DFT Study

2/20/2018

Anoop Kumar Pandey, Govt. College Bishrampur, Email: anooppandeyias@gmail.com

Sarvesh K. Pandey

2/21/2018 02:53:57 am

Dear Professor Pandey:
By looking the system (Model molecular structure of Naphazoline) studied here (slide no. 7), I can guess that it may have intramolecular non-covalent interaction so it will be good to perform the ab initio modeling to get more reliable outcomes with the same basis set. And also it is good to see its possible conformers properties.

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