𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Physisorption of Molecular Hydrogen on Polycyclic Aromatic Hydrocarbons: A Theoretical Study

✍ Scribed by Tran, Fabien; Weber, Jacques; Wesołowski, Tomasz A.; Cheikh, Frikia; Ellinger, Yves; Pauzat, Françoise

Book ID
120308147
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
87 KB
Volume
106
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical studies on the carcinogenici
Theoretical studies on the carcinogenicity of polycyclic aromatic hydrocarbons
✍ K. Periya Vijayalakshmi; Cherumuttathu H. Suresh 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 450 KB 👁 1 views

## Abstract The distinct molecular regions of a set of 28 polycyclic aromatic hydrocarbons (PAHs) showing varying degrees of carcinogenic activity (CA) have been analyzed on the basis of their calculated molecular electrostatic potential (MESP) at B3LYP/6‐31+G(d,p) level of theory. The MESP, being

Theoretical study concerning the reactiv
Theoretical study concerning the reactivity of imine derivatives of polycyclic aromatic hydrocarbons
✍ Gabriela L. Borosky 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 137 KB 👁 1 views

## Abstract The opening reaction of __N__‐protonated polycyclic aromatic hydrocarbon imines has been computed by means of __ab initio__, density functional, and semiempirical methods of calculation. Imines are predicted to be more stable than the corresponding O‐protonated derivatives, epoxides and