𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum-chemical investigation of hydrogen bonds in complexes of the H2O and H2S molecules

✍ Scribed by M. M. Konoplya; V. K. Pogorelyi


Book ID
112362584
Publisher
Springer
Year
1980
Tongue
English
Weight
499 KB
Volume
16
Category
Article
ISSN
0040-5760

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Quantum chemical study of the hydrogen-b
✍ 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