On Jan 19, 2011, at 22:15 , Mahdi Faqieh nasiri wrote: > i am trying to study the binding of molecular oxygen to a graphene > sheet by means of spin-unrestricted density-functional calculations.
don't waste your time: it doesn't bind P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
