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Ab-initio calculations on protein secondary structure: Preliminary studies of hydrogen bonding in the α helix and the 310 Helix

✍ Scribed by E. L. Mehler


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
123 KB
Volume
16
Category
Article
ISSN
0020-7608

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Hydrogen bond studies. 71. Ab initio cal
✍ Jan Almlöf 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 359 KB

MO LCAO SW calcnlations have been performed to invcstigatc the molecular structure and vibrational spectrum of the bifluoridc ion in its normal and deuterated form. The potential energy for nuclear motions has been evaluated = 3 function of the molecular degrees of freedom. tnkhg only iincnr gcometr