𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum chemical study of the Cspiro-O bond dissociation in spiropyran molecules

✍ Scribed by Aldoshin, S. M.; Bozhenko, K. V.; Utenyshev, A. N.

Book ID
125368788
Publisher
Springer
Year
2013
Tongue
English
Weight
205 KB
Volume
62
Category
Article
ISSN
1573-9171

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Quantum chemical study of the hydrogen-b
Quantum chemical study of the hydrogen-bonded HXeOH–H2O complex
✍ Jan Lundell; SΕ‚awomir Berski; Antti Lignell; ZdzisΕ‚aw Latajka πŸ“‚ Article πŸ“… 2006 πŸ› Elsevier Science 🌐 English βš– 265 KB

A combined MP2 and DFT/B3LYP study of the HXeOH-H 2 O complex is presented. These computational methods have been used to extract information on the structural, energetical and vibrational properties of the complex. Additionally, we have applied anharmonic vibrational calculations based on the MP2-c