The existence of secondary orbital interactions

@article{Wannere2007TheEO,
  title={The existence of secondary orbital interactions},
  author={C. Wannere and Ankan Paul and R. Herges and K. Houk and H. Schaefer and P. Schleyer},
  journal={Journal of Computational Chemistry},
  year={2007},
  volume={28}
}
B3LYP/6‐311+G** (and MP2/6‐311+G**) computations, performed for a series of Diels‐Alder (DA) reactions, confirm that the endo transition states (TS) and the related Cope‐TSs are favored energetically over the respective exo‐TSs. Likewise, the computed magnetic properties (nucleus‐independent chemical shifts and magnetic susceptibililties) of the endo‐ (as well as the Cope) TS's reveal their greater electron delocalization and greater aromaticity than the exo‐TS's. However, Woodward and Hoffmann… Expand
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Origin of the “endo rule” in Diels–Alder reactions
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