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Ab-initio calculations on the protonation of simple amides by H3O+. Effects of discrete hydration and solvent cavity

✍ Scribed by M. Hodošček; V. Harb; D. Hadži

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations on the hydration

✍ M. Hodos̆ĕk; D. Kocjan; D. Hadz̆i 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 575 KB

Solvent Effects. 5. Influence of Cavity

✍ Foresman, James B.; Keith, Todd A.; Wiberg, Kenneth B.; Snoonian, John; Frisch, 📂 Article 📅 1996 🏛 American Chemical Society 🌐 English ⚖ 422 KB

Ab initio calculations of external charg

✍ Poul Erik Hansen; Jens Abildgaard; Aage E. Hansen 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 628 KB

An ab initio study of the primary hydrat

✍ Chen Wang; Jeffrey K. Clark II; Milan Kumar; Stephen J. Paddison 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 736 KB

Solvent effects on vibrational modes: ab

✍ Chiara Cappelli; Clarissa O Silva; Jacopo Tomasi 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 151 KB

Incorporation of solvent effects into ab

✍ Ohgi Takahashi; Hiroyuki Sawahata; Yasushi Ogawa; Osamu Kikuchi 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 863 KB