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Triple proton transfer in crystalline 3,5-dibromo-1H-1,2,4-triazole and 3,5-dichloro-1H-1,2,4-triazole studied by variable-temperature 15N NMR and ab initio calculations

✍ Scribed by María Angeles García; Concepción López; Olaf Peters; Rosa M. Claramunt; Oliver Klein; David Schagen; Hans-Heinrich Limbach; Concepción Foces-Foces; José Elguero

Publisher: John Wiley and Sons
Year: 2000
Tongue: English
Weight: 181 KB
Volume: 38
Category: Article
ISSN: 0749-1581
DOI: 10.1002/1097-458x(200007)38:7<604::aid-mrc682>3.0.co;2-v

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Ab initio molecular orbital study on the structures and energetics of CH3OH3.0.CO;2-0/asset/equation/tex2gif-ueqn-1.gif?v=1&t=h5nke4b3&s=2aac35beee6746b35cfd5aaa2639653043d2521b" class="inlineGraphic">(H2O)n and CH3SH3.0.CO;2-0/asset/equation/tex2gif-ueqn-2.gif?v=1&t=h5nke4b3&s=000f29ff40e8c21ba8b3ae78c77019fe818aa54d" class="inlineGraphic">(H2O)n in the gas phase

✍ Masao Masamura 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 172 KB 👁 2 views