Wang, 2006, J. Phys. Chem. B, 110, 7820, 10.1021/jp0571675
Zhang, 2009, J.Phys. Chem. C, 113, 6491, 10.1021/jp811103u
Alonso, 2000, Chem. Rev., 100, 637, 10.1021/cr980391o
Cui, 2006, J. Am. Chem. Soc., 128, 8390, 10.1021/ja062052f
Esenturk, 2006, J. Am. Chem. Soc.128, 9178, 10.1021/ja061842m
Zhang, 2001, Rapid Commun. Mass. Spectrum., 15, 2399, 10.1002/rcm.530
Cui, 2007, Angew. Chem. Int. Ed., 46, 742, 10.1002/anie.200603226
Shao, 2008, J. Chem. Phys., 128, 154326, 10.1063/1.2897918
Chen, 2008, Chem. Phys. Lett., 462, 275, 10.1016/j.cplett.2008.07.095
Chen, 2008, J. Chem. Phys., 129, 094301, 10.1063/1.2969111
Wang, 2007, Chem. Phys., 342, 253, 10.1016/j.chemphys.2007.10.008
Kumar, 2001, Appl. Phys. Lett., 80, 859, 10.1063/1.1447315
Kumar, 2003, Appl. Phys. Lett., 83, 2677, 10.1063/1.1609661
Dmol3 is a density functional theory program distributed by Accelrys, Inc. B. Delley, J. Chem. Phys. 92 (1990) 508.
Scuseria, 1996, Science, 271, 942, 10.1126/science.271.5251.942
Filippi, 1994, J. Chem. Phys., 100, 1290, 10.1063/1.466658
Ding, 1998, Phys. Lett. A, 256, 417
Artacho, 1999, Phys. Status. Solidi, 215, 809, 10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0
Pei, 2006, Phys. Rev. B, 73, 195417, 10.1103/PhysRevB.73.195417
Delley, 2002, Phys. Rev.B, 66, 155125, 10.1103/PhysRevB.66.155125
Lee, 1988, Phys. Rev. B, 37, 785, 10.1103/PhysRevB.37.785
Wang, 2001, Phys. Rev. B, 64, 205411, 10.1103/PhysRevB.64.205411
Kingcade, 1986, J. Phys. Chem., 90, 2830, 10.1021/j100404a011
Gingerich, 2000, Chem. Phys., 262, 65, 10.1016/S0301-0104(00)00271-8
Gingerich, 2000, J. Chem. Phys., 112, 7443, 10.1063/1.481343
Fa, 2006, Phys. Rev. B, 73, 085405, 10.1103/PhysRevB.73.085405
Liu, 2009, Chem. Phys. Lett., 469, 321, 10.1016/j.cplett.2009.01.018
Wang, 2005, J. Chem. Phys., 123, 064306, 10.1063/1.1998887
Han, 2007, J. Phys. Chem. A, 111, 2148, 10.1021/jp0661903
Lu, 1998, Int. J. Quant. Chem., 67, 187, 10.1002/(SICI)1097-461X(1998)67:3<187::AID-QUA5>3.0.CO;2-R
Kuran, 1998, Chem. Phys. Lett., 292, 580, 10.1016/S0009-2614(98)00746-5
Sun, 2005, J. Phys. Chem. A, 109, 4617, 10.1021/jp0450181
Aihara, 1999, Theor. Chem. Acc., 102, 134, 10.1007/s002140050483
Slanina, 2003, J. Nanosci. Nanotech., 3, 193, 10.1166/jnn.2003.190
Popov, 2007, J. Am. Chem. Soc., 129, 11551, 10.1021/ja073181e
Yoshida, 1999, J. Chem. Phys., 111, 3880, 10.1063/1.479691
Jing, 2008, J. Chem. Phys., 128, 124319, 10.1063/1.2898880
Mpourmpakis, 2003, Phys. Rev. B, 68, 125407, 10.1103/PhysRevB.68.125407
Ma, 2006, Phys. Rev. B, 73, 125439, 10.1103/PhysRevB.73.125439