The Tetrazine Ligation - Intrinsic Bond Orbitals

A closer look into the tetrazine ligation including intrinsic reaction coordinate (IRC) visualization and intrinsic bond orbital (IBO) visualization. IRC calculated on M06-2X/6-31G(d,p) level of theory using Gaussian09. IBOs (PBE/def2-TZVP) and visualization was done in IboView. Follow me on twitter: https://twitter.com/Click_Chemist

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2017/02/28 Click Chemist   Share on Facebook

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