光谱学与光谱分析, 2018, 38 (9): 2665, 网络出版: 2018-10-02  

基于非谐力场的HOI分子振动光谱研究

The Theoretical Study of Anharmonic Vibrational Spectra of HOI
作者单位
1 重庆科技学院数理学院, 重庆 401331
2 重庆科技学院冶金与材料工程学院, 重庆 401331
引用该论文

陈恒杰, 王全武, 张家伟, 望军. 基于非谐力场的HOI分子振动光谱研究[J]. 光谱学与光谱分析, 2018, 38(9): 2665.

CHEN Heng-jie, WANG Quan-wu, ZHANG Jia-wei, WANG Jun. The Theoretical Study of Anharmonic Vibrational Spectra of HOI[J]. Spectroscopy and Spectral Analysis, 2018, 38(9): 2665.

参考文献

[1] Ge M F, Ma C P. Prog. Chem., 2009, 21(2/3): 307.

[2] Bedjanian Y, Poulet G. Chem. Rev., 2003, 103(12): 4639.

[3] Ogilvie J F, Salares V R, Newlands M J. Can. J. Chem., 1975, 53(2): 269.

[4] Walker N, Tevault D E, Smardzewski R R. J. Chem. Phys., 1978, 69(2): 564.

[5] Barnes I, Becker K H, Starcke J. Chem. Phys. Letts., 1992, 196(6): 578.

[6] Klaassen J J, Lindner J, Leone S R. J. Chem. Phys., 1996, 104(19): 7403.

[7] Ozeki H, Saito S. J. Chem. Phys., 2004, 120(11): 5110.

[8] Rauhut G, Hrenar T. Chem. Phys., 2008, 346(1-3): 160.

[9] Neff M, Rauhut G. J. Chem. Phys., 2009, 131(12): 124129.

[10] Stanton J F, Lopreore C L, Gauss J. J. Chem. Phys., 1998, 108(17): 7190.

[11] Oliveira-Filho A G S, Aoto Y A, Ornellas F R. J. Chem. Phys., 2011, 135: 044308.

[12] Werner H J, Knowles P J, Knizia G, et al. WIREs Comput. Mol. Sci., 2012, 2: 242.

[13] MOLPRO, version 2012, a Package of ab initio Programs, Werner H J, Knowles P J, Knizia G, et al. see http://www.molpro.net.

[14] CFOUR. a Quantum Chemical Program Package Written by Stanton J F, Gauss J, Harding M E, Szalay P G et al. For the current version, see http://www.cfour.de.

[15] Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 09, Revision D.01, Gaussian Inc, Wallingford, Con, USA, 2013.

[16] Deely C M. J. Mol. Spectrosc., 1987, 122(2): 481.

[17] Cohen E A, McRae G A, Tan T L, et al. J. Mol. Spectrosc., 1995, 173(1): 55.

[18] Zhao Y L, Wang M S, Yang C L, et al. Spectrochim. Acta Part A: Mol & Bio. Spectro., 2016, 164: 89.

[19] Zhao Y L, Wang M S, Yang C L, et al. J. Phys. B: At. Mol. Opt. Phys., 2017, 50: 155102.

[20] Xu Q, Wang M S, Zhao Y, et al. J. Phys. Chem., 2017, 121(37): 7009.

陈恒杰, 王全武, 张家伟, 望军. 基于非谐力场的HOI分子振动光谱研究[J]. 光谱学与光谱分析, 2018, 38(9): 2665. CHEN Heng-jie, WANG Quan-wu, ZHANG Jia-wei, WANG Jun. The Theoretical Study of Anharmonic Vibrational Spectra of HOI[J]. Spectroscopy and Spectral Analysis, 2018, 38(9): 2665.

关于本站 Cookie 的使用提示

中国光学期刊网使用基于 cookie 的技术来更好地为您提供各项服务,点击此处了解我们的隐私策略。 如您需继续使用本网站,请您授权我们使用本地 cookie 来保存部分信息。
全站搜索
您最值得信赖的光电行业旗舰网络服务平台!