𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of different substituent benzenes and benzene dimers blue-shifted hydrogen bonds

✍ Scribed by Xiaoquan Lu; Haicai Shi; Jing Chen; Dongqin Ji


Book ID
116380069
Publisher
Elsevier
Year
2012
Tongue
English
Weight
342 KB
Volume
982
Category
Article
ISSN
2210-271X

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Blue-shifting hydrogen bond in the benze
✍ Jose M. Hermida-Ramón; Ana M. Graña 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 208 KB

## Abstract __Ab initio__ complete optimizations at MP2/6‐31++G\*\* level have been performed in the T‐shaped geometry of the benzene–benzene and benzene–naphthalene complexes. To check the effect of the basis set superposition error (BSSE), optimizations have been done in the BSSE corrected and BS