𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Force-field calculations on the structure and energy of azulene layers Pt(III)

✍ Scribed by A. Gavezzotti; M. Simonetta


Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
217 KB
Volume
92
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


Dztldgren and Hemmmgcr [I ,Z] propose IWO structures for xxulene overlajers on Pc(l 1 I ), one obtained 31 room temperature and one after anneahng ac 175'C. 14 suntlar behaviour was detected [3] ior naphrhalene-


πŸ“œ SIMILAR VOLUMES


Steric Effects on Reaction Rates – III.
✍ Paul MΓΌller; Jacky Blanc; Dieter Lenoir πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 German βš– 470 KB

## Abstract The rates of oxidation with chromic acid of 15 bi‐ and polycyclic secondary alcohols have been measured and correlated with strain changes calculated by the MM1‐program between the alcohols and the corresponding ketones. A correlation of the same quality is obtained upon representation

Solvation free energies calculated using
✍ Reddy, M. Rami; Erion, Mark D.; Agarwal, Atul; Viswanadhan, Vellarkad N.; McDona πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 236 KB

The sensitivity of aqueous solvation free energies SFEs , estimated using the GBrSA continuum solvent model, on charge sets, protocols, and force fields, was studied. Simple energy calculations using the GBrSA solvent model were performed on 11 monofunctional organic compounds. Results indicate that