Chemical Structure from Scientific Research

Geometries, relative activation energies (ΔG≠) and relative reaction rate constants at 25 °C (krel) for the cycloaddition reaction between dPhTz and dPyTz with EtNC calculated with PCM(CHCl3)/M06-2X/6-31+G(d,p). Forming bonds are shown as green dashed lines. Distances are given in angstrom.

DOI