𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum-chemical study of compounds containing intramolecular O-H…O=C bond

✍ Scribed by V. V. Varfolomeeva


Book ID
111461127
Publisher
Springer
Year
2011
Tongue
English
Weight
509 KB
Volume
81
Category
Article
ISSN
1070-3632

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Semiempirical study of compounds with O-
✍ Miguel A. Ríos; JesúS Rodríguez 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 574 KB

## Abstract Application of MNDO, AM1, PM3, MNDO/H, and MNDO/M methods to a set of compounds with intramolecular hydrogen bonds suggested that none of these methods accurately modeled the characteristics of the hydrogen bonds. Since the MNDO/H and MNDO/M methods work well for intermolecular hydrogen

Quantum chemical study of the hydrogen-b
✍ Jan Lundell; Sławomir Berski; Antti Lignell; Zdzisław Latajka 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 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