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Activation Energies of Pericyclic Reactions: Performance of DFT, MP2, and CBS-QB3 Methods for the Prediction of Activation Barriers and Reaction Energetics of 1,3-Dipolar Cycloadditions, and Revised Activation Enthalpies for a Standard Set of Hydrocarbon Pericyclic Reactions

✍ Scribed by Ess, Daniel H.; Houk, K. N.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A Standard Set of Pericyclic Reactions o

✍ Guner, Vildan; Khuong, Kelli S.; Leach, Andrew G.; Lee, Patrick S.; Bartberger, 📂 Article 📅 2003 🏛 American Chemical Society 🌐 English ⚖ 474 KB

The Performance of the Handy/Cohen Funct

✍ Guner, Vildan A.; Khuong, Kelli S.; Houk, K. N.; Chuma, Anthony; Pulay, Peter 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 187 KB