Ab initio study of medium effects on the geometries of the compounds of trigonal-bipyramidal silicon with coordination center ClSiC3O

Ab initio study of the effect of CH ···

Ab initio study of the effect of CH ··· O hydrogen bonding on the exo/endo stereoselectivity of Diels-Alder reactions of 2-substituted-1,3-dienes with sulfur dioxide

✍ D. Suárez; R. López; J. González; T. L. Sordo; J. A. Sordo 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 402 KB 👁 3 views

Ab initio calcdations at the MP2/6-31G\*//HF/3-21G\* level have been carried out to study Eels-Alder reactions of 2-substituted-1,3-dienes with s u l h dioxide. The CH ... 0 electrostatic interaction detected in some of the transition structures located could be decisive in the control of the exo/en