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Towards a first principles prediction of p K a : COSMO-RS and the cluster-continuum approach

✍ Scribed by Eckert, Frank; Diedenhofen, Michael; Klamt, Andreas

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

First Principles Calculations of Aqueous

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First-Principles Prediction of the p K a

✍ Ho, Junming; Coote, Michelle L.; Franco-Pérez, Marco; Gómez-Balderas, Rodolfo 📂 Article 📅 2010 🏛 American Chemical Society 🌐 English ⚖ 452 KB

First principles prediction of the third

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First Principles Calculations of the Tau

✍ Jang, Yun Hee; Goddard, William A.; Noyes, Katherine T.; Sowers, Lawrence C.; Hw 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 343 KB

First steps towards a scientific approac

✍ Daniel L. Perez; Kumar N. R. Ramohalli; Kanury R. K. Rao; Chen Fulian 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 445 KB

Prediction of ground-state structures an

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