𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Effect of intermolecular O-H ⋯ O hydrogen bonding on the molecular structure of phenol: An ab initio molecular orbital study

✍ Scribed by Fabio Ramondo; Luigi Bencivenni; Gustavo Portalone; Aldo Domenicano

Publisher
Springer
Year
1995
Tongue
English
Weight
655 KB
Volume
6
Category
Article
ISSN
1040-0400

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structure, vibrational frequencies and t
Structure, vibrational frequencies and thermodynamic properties of hydrogen peroxide—water dimers. An ab initio molecular orbital study
✍ O. Mó; M. Yáñez; I. Rozas; J. Elguero 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 686 KB

High levels of ab initio molecular orbital theory have been used to study the structures, binding energies, vibrational frequencies and equilibrium constants of hydrogen peroxide-water dimers. The geometries of the different possible conformers were optimized at the HF/6-3 1 1 + + G (2d, 2p) level o