Silanol as a model for the free hydroxyl
✍
P. Ugliengo; V.R. Saunders; E. Garrone
📂
Article
📅
1990
🏛
Elsevier Science
🌐
English
⚖ 575 KB
Literature vibrational data concerning the interaction of formaldehyde with the isolated hydroxyl of amorphous silica are compared with the results of ab initio calculations by both the Hartree-Fock and correlated through perturbative technique (MP2 and MP3). Silanol H$iOH is chosen to mimic the sil