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Investigation of the IR absorption spectrum of N-acetyl-2-thiohydantoin

✍ Scribed by R. S. Lebedev; R. P. Chumakova; V. N. Yukhimets; V. I. Yakimenko

Book ID: 112418303
Publisher: Springer
Year: 1971
Tongue: English
Weight: 407 KB
Volume: 14
Category: Article
ISSN: 1573-9228
DOI: 10.1007/bf00823887

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IR absorption spectrum of thiohydantoin

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Theoretical study of the IR absorption s

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✍ Jean-Philippe Brunet; Richard A. Friesner; Robert E. Wyatt; Claude Leforestier 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 672 KB

The recursive generation method (RRGM) is used with large basis sets ( > 5000 states) to compute frequencies and relative intensities in the IR spectrum for HCN. Results are reported for the most intense lines below 12000 cm-' and comparisons are made with other theoretical and experimental results.