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Optimized structures of selected stationary points on the potential energy surface of the HC3N + CN reaction - MaRDI portal

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Optimized structures of selected stationary points on the potential energy surface of the HC3N + CN reaction

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DOI10.5281/zenodo.8371996Zenodo8371996MaRDI QIDQ6725434

Dataset published at Zenodo repository.

Author name not available (Why is that?)

Publication date: 23 September 2023

Copyright license: No records found.



Description

This Zip file contains the cartesian coordinates of optimized stationary points ofthe HC3N + CNpotential energy surface published in our articleSemiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction (Molecules 2022, 27(7), 2297), that can be found inhttps://doi.org/10.3390/molecules27072297. All calculations have been performed with Gaussian 09, Revision D.01. All structures have been optimizedat M06-2X/6-311+G(d,p) level of theory.






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