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Calculation of NMR Shielding Tensors Using Gauge-Including Atomic Orbitals and Modern Density Functional Theory

✍ Scribed by Schreckenbach, Georg; Ziegler, Tom

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

NMR shielding tensors for density fitted

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Calculation of 125 Te Chemical Shifts Us

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Comparison of NMR Shieldings Calculated

✍ Rauhut, Guntram; Puyear, Steve; Wolinski, Krzysztof; Pulay, Peter 📂 Article 📅 1996 🏛 American Chemical Society 🌐 English ⚖ 335 KB

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Theoretical Study of 13 C and 17 O NMR S

✍ Ruiz-Morales, Yosadara; Schreckenbach, Georg; Ziegler, Tom 📂 Article 📅 1996 🏛 American Chemical Society 🌐 English ⚖ 578 KB

Calculation of the G-Tensor of Electron

✍ Schreckenbach, Georg; Ziegler, Tom 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 273 KB