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Isomerization energies and surface electrostatic potential analyses on nitriles and isocyanides

Yanyun Zhao1, Xueli Cheng2

  • 1School of Chemistry and Chemical Engineering, Taishan University, Tai'an, 271000, Shandong, China.

Journal of Molecular Modeling
|August 20, 2021
PubMed
Summary

This study explores isocyanide-nitrile rearrangements using computational methods. It analyzes how various substituents affect isomerization energies and bonding characteristics, providing insights into chemical reactivity.

Keywords:
ESP colored van der Waals surfacesIsocyanide-nitrile rearrangementIsomerization energies

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