Spectroscopy and Spectral Analysis, Volume. 39, Issue 1, 65(2019)
Density Functional Investigation of Structural, Electronic and Spectral Properties of the HmTiSin (m=1~2; n=2~8) Clusters
[1] [1] Vogel M, Kasigkeit C, Hirsch K, et al. Phys. Rev. B, 2012, 85(19): 195454.
[2] [2] Lyon J T, Gruene P, Fielicke A, et al. J. Am. Chem. Soc., 2009, 131(3): 1115.
[3] [3] Haertelt M, Lyon J T, Claes P, et al. J. Chem. Phys., 2012, 136(6): 064301.
[5] [5] Li X J, Li C P, Yang J C, et al. Int. J. Quantum Chem., 2009, 109(6): 1283.
[6] [6] Kong X Y, Deng X J, Xu H G, et al. J. Chem. Phys., 2013, 138(24): 244312.
[7] [7] Lu S J, Cao G J, Xu X L, et al. Nanoscale, 2016, 8(47): 19769.
[8] [8] Huang X M, Lu S J, Liang X Q, et al. J. Phys. Chem. C, 2015, 119(20): 10987.
[9] [9] Yang J C, Feng Y T, Xie X H, et al. Theor. Chem. Acc., 2016, 135: 204.
[10] [10] Hou L Y, Yang J C, Liu Y M. J. Mol. Model., 2017, 23: 117.
[11] [11] Li X J, Yan Z J, Li S N. J. Comput. Chem., 2016, 37(25): 2316.
[12] [12] Grubisic A, Ko Y J, Wang H, et al. J. Am. Chem. Soc., 2009, 131(30): 10783.
[13] [13] Li Y, Lyon J T, Woodham A P, et al. Chem. Phys. Chem., 2014, 15(2): 328.
[14] [14] Li Y, Lyon J T, Woodham A P, et al. J. Chem. Phys., 2013, 138(19): 194301.
[15] [15] Huang X M, Xu H G, Lu S J, et al. Nanoscale, 2014, 6(24): 14617.
[16] [16] Li X J, Claes P, Hrtelt M, et al. Phys. Chem. Chem. Phys., 2016, 18(8): 6291.
[17] [17] Peng Q, Shen J. J. Chem. Phys., 2008, 128(8): 084711.
[18] [18] Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian, Inc., Wallingford CT, 2009.
[19] [19] Becke A D. J. Chem. Phys., 1993, 98(7): 5648.
[20] [20] Li X J. Spectrochim. Acta Part A, 2017, 185: 149.
[21] [21] Li X J, Hopmann K H, Hudecová J, et al. J. Phys. Chem. A, 2013, 117(8): 1721.
[22] [22] Li X J. J. Mater. Chem. C, 2018, 6(28): 7576.
[23] [23] Lu J, Yang J C, Kang Y L, et al. J. Mol. Model., 2014, 20: 2114.
[24] [24] Yang J C, Wang J, Hao Y R. Theor. Chem. Acc., 2015, 134: 81.
Get Citation
Copy Citation Text
LI Xiao-jun, LU Xue, REN Hong-jiang, SONG Rui-juan. Density Functional Investigation of Structural, Electronic and Spectral Properties of the HmTiSin (m=1~2; n=2~8) Clusters[J]. Spectroscopy and Spectral Analysis, 2019, 39(1): 65
Received: Dec. 7, 2017
Accepted: --
Published Online: Mar. 17, 2019
The Author Email: Xiao-jun LI (xjlicms@yahoo.com)