【序号】:4 【作者】:Karamanis, Panaghiotis; Pouchan, Claude 【题名】:On the Shape Dependence of Cluster (Hyper)Polarizabilities. A Combined Ab Initio and DFT Study on Large Fullerene-Like Gallium Arsenide Semiconductor Clusters 【期刊】: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 【年、卷、期、起止页码】:2012年 卷: 111 期: 4 特刊: SI 页: 788-796 【全文链接】:http://onlinelibrary.wiley.com/doi/10.1002/qua.22854/abstract
【序号】:5 【作者】:Hua Fang and Yongho Kim * 【题名】:Excited-State Tautomerization in the 7-Azaindole-(H2O)n (n = 1 and 2) Complexes in the Gas Phase and in Solution: A Theoretical Study 【期刊】: J. Chem. Theory Comput. 【年、卷、期、起止页码】:2011, 7 (3), pp 642–657 【全文链接】:http://pubs.acs.org/doi/abs/10.1021/ct100647b