题目:H2, Ne, and N2 Energies of Encapsulation into C60 Evaluated with the MPWB1K Functional 作者:Zdeněk Slanina, Peter Pulay, and Shigeru Nagase 期刊:J. Chem. Theory Comput., 2006, 2 (3), pp 782–785 连接:http://pubs.acs.org/doi/abs/10.1021/ct0503320?journalCode=jctcce&quickLinkVolume=2&quickLinkPage=782&volume=2