Visualize Organic Chemistry is curated by members of the Champagne Research Group at the New Jersey Institute of Technology.

Our mission is to create videos and animations of organic mechanisms that will assist students better understand how reactions occur at the molecular level. We also hope to help students focused on experimental organic synthesis to apply computational tools to their research problems, through in-depth tutorials. We are excited to share our knowledge and to hopefully further your knowledge as well.

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Our founding members

Pier Alexandre Champagne is an Assistant Professor of Chemistry at NJIT. Having both experimental and computational organic chemistry experience, Pier Alexandre knows of the power of DFT to identify and visualize mechanisms. He is now on a quest to expand computational applications in organic chemistry classrooms and research groups.

Joie E. Kelly

Joie Kelly is a Senior at Applied Technology High School. She has spent time learning how to do DFT calculations in order to have a first-person perspective of what it is like to learn these mechanisms similar to the way most beginners would. She now hopes to help other organic chemistry students visualize reactions through computational chemistry.

Floris Buttard

Floris Buttard is a postdoctoral researcher in the Champagne group at NJIT. Trained as synthetic chemist, he has learnt DFT calculations from Pier Alexandre Champagne, and now uses them to unveil mechanisms and origins of selectivity of complex reactions. 

Raphaël Robidas is a Graduate student in the group of Claude Y. Legault at Université de Sherbrooke. He routinely uses computational chemistry to understand chemical reactivity and support experimental research. Raphaël is also involved in the development of multiple tools to make computational chemistry more efficient and accessible.

Claude Y. Legault is a Professor of Chemistry at Université de Sherbrooke. His group develops simple and efficient synthetic methodologies of broad applicability and use computational chemistry to facilitate this research process. In an effort to help computational chemists in their work he developed CYLview, a free visualization software, to accelerate the evaluation and analysis of computational results.

The fine print

Geometry optimizations and other computations are performed using Gaussian 16 on the Lochness cluster at NJIT.
Static visualizations of the structures are generated using CYLview (https://www.cylview.org/).
Interactive animations are made possible by the 3Dmol.js code (https://3dmol.org/, https://doi.org/10.1021/acs.jchemed.0c00579, https://doi.org/10.1093/bioinformatics/btu829).

Creative Commons License
The animations and tutorials on this website are licensed under a Creative Commons Attribution-NonCommercial 4.0 International License

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