𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The Benzene/Water/Hexafluorobenzene Complex: A Computational Study

✍ Scribed by Raimondi, Mario; Calderoni, Gabriele; Famulari, Antonino; Raimondi, Laura; Cozzi, Franco


Book ID
119938758
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
54 KB
Volume
107
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


THEORETICAL STUDIES OF THE SUPRAMOLECULA
✍ Anthony P. West Jr; Sandro Mecozzi; Dennis A. Dougherty 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 58 KB

The benzene • • • hexafluorobenzene stacking interaction was evaluated at several levels of theory. At the MP2/6-31G\*\* level, it is estimated that the interaction is stabilizing by approximately 3.7 kcal mol Ϫ 1 . Lower levels of theory perform poorly on this system. This is a fairly strong non-co

Sulfur–Aromatic Interactions: A Computat
✍ Julianto Pranata 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 140 KB

To investigate sulfur-aromatic interactions, intermolecular interaction energies between dimethyl sulfide and benzene were computed using ab initio molecular orbital calculations. Inclusion of electron correlation at the MP2 level predicted significantly more stable complexes compared to Hartree-Foc