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Density Functional Theory Calculations for Simple Oxametallacycles: Trends across the Periodic Table

✍ Scribed by Mavrikakis, M.; Doren, D. J.; Barteau, M. A.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Geometrical Correction for the Inter- an

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Geometrical Correction for the Inter- an

✍ Brandenburg, Jan Gerit; Alessio, Maristella; Civalleri, Bartolomeo; Peintinger, 📂 Article 📅 2013 🏛 American Chemical Society 🌐 English ⚖ 998 KB

An improved scheme for the calculation o

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Note on the choice of basis set in densi

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Implementation of a Density Functional T

✍ Kadantsev, Eugene S.; Ziegler, Tom 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 123 KB