𝔖 Bobbio Scriptorium
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Ab initio calculations on [Pt–O–H] systems

✍ Scribed by R.G.A.R Maclagan


Book ID
114141197
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
86 KB
Volume
536
Category
Article
ISSN
0166-1280

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📜 SIMILAR VOLUMES


Ab initio calculations on porphin
✍ Jan Almlöf 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 419 KB

## Abstract __Ab initio__ SCF calculations are reported for the porphin molecule. The positions of the central protons have been optimized, and the equilibrium geometry is found to be a linear NH ⃛ HN arrangement. The NH vibrational frequencies have been computed and are compared to experimentally