𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Hydrogen bond studies 70. ab initio calculations of some properties of water molecules in the free state and in solid hydrates

✍ Scribed by J. Almlöf; J. Lindgren; J. Tegenfeldt


Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
771 KB
Volume
14
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


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