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Energy Difference between the Classical and the Nonclassical 2-Norbornyl Cation in Solution. A Combined ab Initio-Monte Carlo Aqueous Solution Study

✍ Scribed by Schreiner, Peter R.; Severance, Daniel L.; Jorgensen, William L.; von Schleyer, Paul; Schaefer, Henry F.

No coin nor oath required. For personal study only.

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Molecular Dynamics Study of the Coordina

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Tautomeric Equilibria of 3-Hydroxypyrazo

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Tautomerism of 1,2,3- and 1,2,4-triazole

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Reaction Mechanism and Tautomeric Equili

✍ Lima, Maria Carolina P.; Coutinho, Kaline; Canuto, Sylvio; Rocha, Willian R. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 128 KB

A theoretical study of tautomerism in th

✍ Cieplak, Piotr; Bash, Paul; Singh, U. Chandra; Kollman, Peter A. 📂 Article 📅 1987 🏛 American Chemical Society 🌐 English ⚖ 859 KB