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Hydrogen bonds and short intermolecular contacts involving nitroxide groups in crystals

✍ Scribed by Chion, B. ;Lajzérowicz-Bonneteau, J.

Book ID
114526880
Publisher
International Union of Crystallography
Year
1980
Weight
265 KB
Volume
36
Category
Article
ISSN
0567-7408

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📜 SIMILAR VOLUMES

Molecular orbital studies of hydrogen bo
Molecular orbital studies of hydrogen bond and NMR contact shifts in nitroxide radical/methanol system
✍ L. Morishima; K. Endo; T. Yonezawa 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 317 KB

SCF molecular orbital calculations using INDO method have been performed for dimethyl nitroxide (DMNO)-methanol and DMNO-acetylene hydrogen bond systems. Negative spin densiw on the hydroql proton of methanol which has been confirmed by our previous NBIR studies was reproduced only for the model whe