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Ab Initio Calculations of 17 O NMR-Chemical Shifts for Water. The Limits of PCM Theory and the Role of Hydrogen-Bond Geometry and Cooperativity

✍ Scribed by Klein, Roger A.; Mennucci, Benedetta; Tomasi, Jacopo

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab Initio Calculations of the 17 O NMR C

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The C−F···H−O Hydrogen Bond in the Gas P

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Ab Initio Calculations of the Reactions

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Unraveling the Electronic and Vibrationa

✍ Abildgaard, Jens; Bolvig, Simon; Hansen, Poul Erik 📂 Article 📅 1998 🏛 American Chemical Society 🌐 English ⚖ 201 KB