Benzene—O2 interaction potential from ab
✍
Giovanni Granucci; Maurizio Persico
📂
Article
📅
1993
🏛
Elsevier Science
🌐
English
⚖ 550 KB
The interaction potential between benzene and O2 has been computed by means of SCF/MPZ calculations. The dominant attractive interaction is due to dispersion forces, therefore the choice of the basis set has been dictated by the requirement that the polarizabihties of the two partners be correctly r