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2012 | 10 | 2 | 253-270
Article title

Stereodynamics of chemical reactions: quasi-classical, quantum and mixed quantum-classical theories

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Abstracts
EN
In this review, some benchmark works by Han and coworkers on the stereodynamics of typical chemical reactions, triatomic reactions H + D2, Cl + H2 and O + H2 and polyatomic reaction Cl+CH4/CD4, are presented by using the quasi-classical, quantum and mixed quantum-classical methods. The product alignment and orientation in these A+BC model reactions are discussed in detail. We have also compared our theoretical results with experimental measurements and demonstrated that our theoretical results are in good agreement with the experimental results. Quasi-classical trajectory (QCT) method ignores some quantum effects like the tunneling effect and zero-point energy. The quantum method will be very time-consuming. Moreover, the mixed quantum-classical method can take into account some quantum effects and hence is expected to be applicable to large systems and widely used in chemical stereodynamics studies.
Publisher

Journal
Year
Volume
10
Issue
2
Pages
253-270
Physical description
Dates
published
1 - 4 - 2012
online
31 - 3 - 2012
Contributors
author
  • State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, 116023, China
author
  • State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, 116023, China, gjzhao@dicp.ac.cn
References
  • [1] U. Fano, J. H. Macek, Rev. Mod. Phys. 45, 553 (1973) http://dx.doi.org/10.1103/RevModPhys.45.553[Crossref]
  • [2] D. E. Case, D. R. Herschbach, Mol. Phys. 30, 1537 (1975) http://dx.doi.org/10.1080/00268977500103061[Crossref]
  • [3] D. E. Case, G. M. McClelland, D. R. Herschbach Mol. Phys. 35, 541 (1978) http://dx.doi.org/10.1080/00268977800100391[Crossref]
  • [4] G. M. McClelland, D. R. Herschbach J. Phys. Chem. 83, 1445 (1979) http://dx.doi.org/10.1021/j100474a018[Crossref]
  • [5] D. R. Herschbach Eur. Phys. J. D 38, 3 (2006) http://dx.doi.org/10.1140/epjd/e2006-00027-1[Crossref]
  • [6] J. D. Barnwell, J. G. Loeser, D. R. Herschbach, J. Phys. Chem. 87, 2781 (1983) http://dx.doi.org/10.1021/j100238a017[Crossref]
  • [7] K. H. Kramer, R. B. Bernstein, J. Chem. Phys. 42, 767 (1965) http://dx.doi.org/10.1063/1.1696004[Crossref]
  • [8] P. R. Brooks, E. M. Jones. J. Chem. Phys. 45, 3449 (1966) http://dx.doi.org/10.1063/1.1728128[Crossref]
  • [9] R. J. Beuhler, R. B. Bernstein, K. H. Kramer, J. Am. Chem. Soc. 88, 5331 (1966) http://dx.doi.org/10.1021/ja00974a059[Crossref]
  • [10] H. J. Loesch, Z. Remscheid, J. Chem. Phys. 93, 4779 (1990) http://dx.doi.org/10.1063/1.458668[Crossref]
  • [11] R. E. Drullinger, R. N. Zare, J. Chem. Phys. 51, 5532 (1969) http://dx.doi.org/10.1063/1.1671980[Crossref]
  • [12] D. L. Feldman, R. K. Lengel, R. N. Zare, Chem. Phys. Lett. 52, 413 (1977) http://dx.doi.org/10.1016/0009-2614(77)80477-6[Crossref]
  • [13] S. I. Muslih, D. Baleanu, J. Math. Anal. Appl. 304, 599 (2005) http://dx.doi.org/10.1016/j.jmaa.2004.09.043[Crossref]
  • [14] G. W. Ding, W. Z. Sun, W. S. Yang, D. L. Xu, G. Z. He, N. Q. Lou, Chem. Phys. Lett. 265, 392 (1997) http://dx.doi.org/10.1016/S0009-2614(96)01439-X[Crossref]
  • [15] M. Hoffmeister, R. Schleysing, H. J. Loesch, J. Chem. Phys. 86, 5441 (1987) http://dx.doi.org/10.1063/1.452568[Crossref]
  • [16] D. S. Y. Hus, G. M. McClelland, D. R. Herschbach, J. Chem. Phys. 61, 4927 (1974) http://dx.doi.org/10.1063/1.1681824[Crossref]
  • [17] S. I. Muslih, D. Baleanu, E. M. Rabei, Cent. Eur. J. Phys. 5, 285 (2007) http://dx.doi.org/10.2478/s11534-007-0014-9[Crossref]
  • [18] S. I. Muslih, D. Baleanu, E. M. Rabei, Cent. Eur. J. Phys. 5, 549 (2007) http://dx.doi.org/10.2478/s11534-007-0041-6[Crossref]
  • [19] C. D. Jonah, R. N. Zare, C. Ottinger, J. Chem. Phys. 56, 263 (1972) http://dx.doi.org/10.1063/1.1676857[Crossref]
  • [20] R. J. Hennessy, Y. Ono, J. P. Simons, Chem. Phys. Lett. 75, 47 (1980) http://dx.doi.org/10.1016/0009-2614(80)80461-1[Crossref]
  • [21] D. Baleanu, A. K. Golmankhaneh, R. Nigmatullin, A. K. Golmankhaneh, Cent. Eur. J. Phys. 8, 120 (2010) http://dx.doi.org/10.2478/s11534-009-0085-x[Crossref]
  • [22] G. W. Tyndall, M. S. de Vries, C. L Cobb, R. M. Martin, J. Chem. Phys. 87, 5830 (1987) http://dx.doi.org/10.1063/1.453506[Crossref]
  • [23] G. W. Ding et al., Chem. Phys. Lett. 220, 1 (1994) http://dx.doi.org/10.1016/0009-2614(94)00148-0[Crossref]
  • [24] W. S. Yang et al., Chem. Phys. 193, 345 (1995) http://dx.doi.org/10.1016/0301-0104(94)00408-3[Crossref]
  • [25] F. Engelke, K. H. Meiwes-Broer, Chem. Phys. Lett. 108, 132 (1984) http://dx.doi.org/10.1016/0009-2614(84)85706-1[Crossref]
  • [26] R. J. Li et al., Chem. Phys. Lett. 220, 281 (1994) http://dx.doi.org/10.1016/0009-2614(94)00174-X[Crossref]
  • [27] A. J. Orr-Ewing, W. R. Simpson, S. A. Kandel, T. P. Rakitzis, R. N. Zare, J. Chem. Phys. 106, 5961 (1997) http://dx.doi.org/10.1063/1.473262[Crossref]
  • [28] T. P. Rakitzis, S. A. Kandel, T. Lev-On, R. N. Zare, J. Chem. Phys. 107, 9392 (1997) http://dx.doi.org/10.1063/1.475236[Crossref]
  • [29] M. Brouard, S. D. Gatenby, D. M. Joseph, C. Vallance, J. Chem. Phys. 113, 3162 (2000) http://dx.doi.org/10.1063/1.1286971[Crossref]
  • [30] M. Brouard, I. Burak, D. W. Hughes, K. S. Kalogerakis, J. P. Simons, V. Stavros, J. Chem. Phys. 113, 3173 (2000) http://dx.doi.org/10.1063/1.1286972[Crossref]
  • [31] A. J. Orr-Ewing, R. N. Zare, In: K. Liu, Al. Wagner (Eds.), Chemical dynamics and kinetics of small radicals (II) (World Scientific, Singapore, 1995) 936
  • [32] A. J. Orr-Ewing, R. N. Zare (1994) Annu. Rev. Phys. Chem. 45, 315 (1994) http://dx.doi.org/10.1146/annurev.pc.45.100194.001531[Crossref]
  • [33] A. J. Orr-Ewing, J. Chem. Soc. Faraday T. 92, 881 (1996) http://dx.doi.org/10.1039/ft9969200881[Crossref]
  • [34] M. Brouard, J. P. Simons, In: K. Liu, A. L. Wagne (Eds.), Chemical dynamics and kinetics of small radicals (II) (World Scientific, Singapore, 1995) 795
  • [35] J. P. Simons, J. Chem. Soc. Faraday T. 93, 4095 (1997) http://dx.doi.org/10.1039/a704984f[Crossref]
  • [36] A. J. Alexander, M. Brouard, K. S. Kalogerakis, J. P. Simons, Chem. Soc. Rev. 27, 405 (1998) http://dx.doi.org/10.1039/a827405z[Crossref]
  • [37] J. P. Simons, Faraday Discussions of the Chemical Society 113, 1 (1999) http://dx.doi.org/10.1039/a905761g[Crossref]
  • [38] N. E. Shafer, A. J. Orr-Ewing, R. N. Zare, J. Phys. Chem. 99, 7591 (1995) http://dx.doi.org/10.1021/j100019a045[Crossref]
  • [39] F. J. Aoiz, M. Brouard, P. A. Enriquez, J. Chem. Phys. 105, 4964 (1996) http://dx.doi.org/10.1063/1.472346[Crossref]
  • [40] M. P. De Miranda, D. C. Clary, J. Chem. Phys. 106, 4509 (1997) http://dx.doi.org/10.1063/1.473483[Crossref]
  • [41] M. P. De Miranda, S. K. Pogrebnya, D. C. Clary, Faraday Discussions of the Chemical Society 113, 119 (1999) http://dx.doi.org/10.1039/a901948k[Crossref]
  • [42] M. P. De Miranda, F. J. Aoiz, L. Bañares, V. Sáez Rábanos, J. Chem. Phys. 111, 5368 (1999) http://dx.doi.org/10.1063/1.479797[Crossref]
  • [43] N. H. Hijazi, J. C. Polanyi, J. Chem. Phys. 63, 2249 (1975) http://dx.doi.org/10.1063/1.431610[Crossref]
  • [44] K. L. Han, G. Z. He, N. Q. Lou, Chinese Chem. Lett. 4, 517 (1993)
  • [45] K. L. Han, G. Z. He, N. Q. Lou, J. Chem. Phys 105, 8699 (1996) http://dx.doi.org/10.1063/1.472651[Crossref]
  • [46] K. L. Han, G. Z. He, N. Q. Lou, Chin. J. Chem. Phys. 6, 525 (1998)
  • [47] K. L. Han, L. Zhang, D. L. Xu, G. Z. He, N. Q. Lou, J. Phys. Chem. A 105, 2956 (2001) http://dx.doi.org/10.1021/jp002181x[Crossref]
  • [48] M. D. Chen, M. L. Wang, K. L. Han, S. L. Ding, Chem. Phys. Lett. 301, 303 (1999) http://dx.doi.org/10.1016/S0009-2614(99)00052-4[Crossref]
  • [49] L. Zhang, M. D. Chen, M. L. Wang, K. L. Han, J. Chem. Phys. 112, 3710 (2000) http://dx.doi.org/10.1063/1.480523[Crossref]
  • [50] M. D. Chen, B. Y. Tang, K. L. Han, N. Q. Lou, Chem. Phys. Lett. 337, 349 (2001) http://dx.doi.org/10.1016/S0009-2614(01)00219-6[Crossref]
  • [51] M. D. Chen, K. L. Han, N. Q. Lou, Chem. Phys. Lett. 357, 483 (2002) http://dx.doi.org/10.1016/S0009-2614(02)00585-7[Crossref]
  • [52] M. D. Chen, K. L. Han, N. Q. Lou, Chem. Phys. 283, 463 (2002) http://dx.doi.org/10.1016/S0301-0104(02)00768-1[Crossref]
  • [53] M. D. Chen, B. Y. Tang, K. L. Han, N. Q. Lou, Chin. J. Chem. Phys. 15, 247 (2002)
  • [54] M. D. Chen, K. L. Han, N. Q. Lou, J. Chem. Phys. 118, 4463 (2003) http://dx.doi.org/10.1063/1.1545112[Crossref]
  • [55] M. L. Wang et al., Chem. Phys. Lett. 278, 307 (1997) http://dx.doi.org/10.1016/S0009-2614(97)01063-4[Crossref]
  • [56] M. L. Wang, K. L. Han, J. P. Zhan, J. H. Huang, G. Z. He, Chem. Phys. 236, 387 (1998) http://dx.doi.org/10.1016/S0301-0104(98)00194-3[Crossref]
  • [57] M. L. Wang, K. L. Han, G. Z. He, J. Chem. Phys. 109, 5446 (1998) http://dx.doi.org/10.1063/1.476522[Crossref]
  • [58] T. S. Chu, Y. Zhang, K. L. Han, Inter. Rev. Phys. Chem. 25, 201 (2006) http://dx.doi.org/10.1080/01442350600677929[Crossref]
  • [59] T. S. Chu, K. L. Han, Phys. Chem. Chem. Phys. 10, 2431 (2008) http://dx.doi.org/10.1039/b715180b[Crossref]
  • [60] J. P. Zhan et al., J. Chem. Phys. 109, 1819 (1998) http://dx.doi.org/10.1063/1.476757[Crossref]
  • [61] X. Zhang, K. L. Han, Int. J. Quantum Chem. 106, 1815 (2005) http://dx.doi.org/10.1002/qua.20929[Crossref]
  • [62] X. G. Liu, H. Kong, W. W. Xu, J. J. Liang, F. J. Zong, Q. G. Zhang, J. Mol. Struc.-Theochem 908, 117 (2009) http://dx.doi.org/10.1016/j.theochem.2009.05.015[Crossref]
  • [63] C. M. Baleanu, R. R. Nigmatullin, S. S. Cetin, D. Baleanu, S. Ozcelik, Cent. Eur. J. Phys. 9, 729 (2011) http://dx.doi.org/10.2478/s11534-010-0068-y[Crossref]
  • [64] W. W. Xu, X. G. Liu, S. X. Luan, Q. G. Zhang, P. Y. Zhang, Chem. Phys. Lett. 464 92 (2008) http://dx.doi.org/10.1016/j.cplett.2008.08.011[Crossref]
  • [65] W. W. Xu, X. G. Liu, S. X. Luan, Q. G. Zhang, Chem. Phys. 355, 21 (2008) http://dx.doi.org/10.1016/j.chemphys.2008.07.015[Crossref]
  • [66] W. W. Xu, X. G. Liu, Q. G. Zhang, Mol. Phys. 106, 1787 (2008) http://dx.doi.org/10.1080/00268970802290321[Crossref]
  • [67] W. W. Xu, X. G. Liu, S. X. Luan, S. S. Sun, Q. G. Zhang, Chinese Phys. B 18, 339 (2009) http://dx.doi.org/10.1088/1674-1056/18/1/055[Crossref]
  • [68] W. W. Xu, X. G. Liu, S. X. Luan, Q. G. Zhang, Int. J. Quantum Chem. 110, 860 (2010) http://dx.doi.org/10.1002/qua.22386[Crossref]
  • [69] H. Kong, X. G. Liu, W. W. Xu, Q. G. Zhang, Acta Phys.-Chim. Sin. 25, 1 (2009)
  • [70] H. Kong, X. G. Liu, W. W. Xu, Q. G. Zhang, Chinese Phys. Lett. 26, 053102 (2009) http://dx.doi.org/10.1088/0256-307X/26/5/053102[Crossref]
  • [71] H. Kong, X. G. Liu, W. W. Xu, J. J. Liang, Q. G. Zhang, Acta. Phys. Sin. 58, 250 (2009)
  • [72] W. L. Li, M. S. Wang, C. L. Yang, W. W. Liu, C. Sun, T. Q. Ren, Chem. Phys. 337, 93 (2007) http://dx.doi.org/10.1016/j.chemphys.2007.06.041[Crossref]
  • [73] W. L. Li, M. S. Wang, Y. M. Dong, C. L. Yang, Chem. Phys. 348, 97 (2008) http://dx.doi.org/10.1016/j.chemphys.2008.02.034[Crossref]
  • [74] W. L. Li et al., Chem. Phys. Lett. 445, 125 (2007) http://dx.doi.org/10.1016/j.cplett.2007.08.013[Crossref]
  • [75] X. H. Li, M. S. Wang, I. Pino, C. L. Yang, L. Z. Ma, Phys. Chem. Chem. Phys. 11, 10438 (2009) http://dx.doi.org/10.1039/b913713k[Crossref]
  • [76] Q. T. Meng, J. Zhao, Y. Xu, D. G. Yue, Chem. Phys. 362, 65 (2009) http://dx.doi.org/10.1016/j.chemphys.2009.06.009[Crossref]
  • [77] J. Zhao, Y. Xu, Q. T. Meng, Can. J. Phys. 87, 1247 (2009) http://dx.doi.org/10.1139/P09-074[Crossref]
  • [78] J. Zhao, Y. Xu, D. G. Yue, Q. T. Meng, Chem. Phys. Lett. 471, 160 (2009) http://dx.doi.org/10.1016/j.cplett.2009.02.007[Crossref]
  • [79] J. Zhao, Y. Xu, Q. T. Meng, J. Phys. B-At. Mol. Opt. 42, 165006 (2009) http://dx.doi.org/10.1088/0953-4075/42/16/165006[Crossref]
  • [80] Y. Xu, J. Zhao, D. G. Yue, X. Y. Zheng, Q. T. Meng, Chinese Phys. B 18, 5308 (2009) http://dx.doi.org/10.1088/1674-1056/18/12/032[Crossref]
  • [81] Y. H. Zhu, P. Song, H. Yang, F. C. Ma, Cent. Eur. J. Phys. 9, 956 (2011) http://dx.doi.org/10.2478/s11534-010-0117-6[Crossref]
  • [82] W. Q. Zhang, M. D. Chen, J. Theor. Comput. Chem. 8, 1131 (2009) http://dx.doi.org/10.1142/S0219633609005465[Crossref]
  • [83] L. H. Duan, W. Q. Zhang, M. D. Chen, Chem. Phys. 367, 115 (2010) http://dx.doi.org/10.1016/j.chemphys.2009.11.006[Crossref]
  • [84] C. H. Zhang, W. Q. Zhang, M. D. Chen, J. Theor. Comput. Chem. 8, 403 (2009) http://dx.doi.org/10.1142/S0219633609004654[Crossref]
  • [85] J. J. Ma, M. D. Chen, S. L. Cong, K. L. Han, Chem. Phys. 327, 529 (2006) http://dx.doi.org/10.1016/j.chemphys.2006.06.010[Crossref]
  • [86] J. J. Ma, S. L. Cong, Z. H. Zhang, Y. Q. Wang, Chinese J. Chem. Phys. 19, 117 (2006) http://dx.doi.org/10.1360/cjcp2006.19(2).117.6[Crossref]
  • [87] J. J. Ma, Z. H. Zhang, S. L. Cong, Acta Physica-Chimica Sinica 22, 972 (2006)
  • [88] Q. Wei, V. W. K. Wu, B. Zhou, J. Theor. Comput. Chem. 8, 1177 (2009) http://dx.doi.org/10.1142/S0219633609005386[Crossref]
  • [89] Q. Wei, X. Li, T. Li, Chem. Phys. 368, 58 (2010) http://dx.doi.org/10.1016/j.chemphys.2009.12.009[Crossref]
  • [90] Q. Wei, Y. K. Xie, W. L. Feng, J. Theor. Comput. Chem. 10, 1 (2011) http://dx.doi.org/10.1142/S0219633611006232[Crossref]
  • [91] Q. Wei, X. Li, T. Li, Chinese J. Chem. Phys. 22, 523 (2009) http://dx.doi.org/10.1088/1674-0068/22/05/523-528[Crossref]
  • [92] Q. Wei, T. Li, B. Zhou, V. W. K. Wu, J. Mol. Struc.-Theochem 913, 162 (2009) http://dx.doi.org/10.1016/j.theochem.2009.07.033[Crossref]
  • [93] H. H. Zhang, C. J. Hu, Q. Wei, B. Zhang, Mol. Phys. 107, 2503 (2009) http://dx.doi.org/10.1080/00268970903379239[Crossref]
  • [94] M. H. Yuan, G. J. Zhao, J. Mol. Struct.-Theochem 916, 23 (2009) http://dx.doi.org/10.1016/j.theochem.2009.09.003[Crossref]
  • [95] B. Li, T. S. Chu, K. L. Han, J. Comput. Chem. 31, 362 (2010) http://dx.doi.org/10.1002/jcc.21498[Crossref]
  • [96] Y. F. Liu, H. Y. Meng, K. L. Han, Chem. Phys. 309, 223 (2005) http://dx.doi.org/10.1016/j.chemphys.2004.09.017[Crossref]
  • [97] Y. F. Liu, Z. Z. Liu, G S. Lv, L. J. Jiang, J. F. Sun, Chem. Phys. Lett. 423, 157 (2006) http://dx.doi.org/10.1016/j.cplett.2006.03.059[Crossref]
  • [98] Y. F. Liu, W. Zhang, D. H. Shi, J. F. Sun, Chin. Phys. B 18, 4264 (2009) http://dx.doi.org/10.1088/1674-1056/18/10/029[Crossref]
  • [99] Y. F. Liu, Y. L. Gao, D. H. Shi, J. F. Sun, Chem. Phys. 364, 46 (2009) http://dx.doi.org/10.1016/j.chemphys.2009.08.010[Crossref]
  • [100] Y. F. Liu, Y. L. Gao, H. S. Zhai, D. H. Shi, J. F. Sun, Int. J. Mol. Sci. 10, 2146 (2009) http://dx.doi.org/10.3390/ijms10052146[Crossref]
  • [101] C. Y. Hou, Y. M. Li, D. Zhao, Chem. Phys. 364, 64 (2009) http://dx.doi.org/10.1016/j.chemphys.2009.08.012[Crossref]
  • [102] Y. M. Li, Mol. Phys. 107, 1331 (2009) http://dx.doi.org/10.1080/00268970902873539[Crossref]
  • [103] Z. X. Duan, Y. Qi, Y.C. Lu, Mol. Phys. 106, 2725 (2008) http://dx.doi.org/10.1080/00268970802665613[Crossref]
  • [104] T. S. Chu, J. Comput. Chem. 31, 1385 (2010)
  • [105] T. Y. Chen, W. P. Zhang, X. Q. Wang, G. J. Zhao, Chem. Phys. 365, 158 (2009) http://dx.doi.org/10.1016/j.chemphys.2009.10.012[Crossref]
  • [106] T. Y. Chen, W. P. Zhang, H. Ma, J. Cui, B. Chem. Soc. Jpn. 83, 1346 (2010) http://dx.doi.org/10.1246/bcsj.20100127[Crossref]
  • [107] D. Kuang, T. Y. Chen, W. P. Zhang, N. J. Zhao, D. J. Wang, B. Kor. Chem. Soc. 31, 2841 (2010) http://dx.doi.org/10.5012/bkcs.2010.31.10.2841[Crossref]
  • [108] D. Kuang, X. Y. Miao, J. Mol. Struct.-Theochem 952, 109 (2010) http://dx.doi.org/10.1016/j.theochem.2010.04.037[Crossref]
  • [109] J. C. Polanyi, H. W. Wong, J. Chem. Phys. 51, 1439 (1969) http://dx.doi.org/10.1063/1.1672194[Crossref]
  • [110] Y. J. Ding, Y. Shi, Computational and Theoretical Chemistry 963, 306 (2011) http://dx.doi.org/10.1016/j.comptc.2010.10.040[Crossref]
  • [111] H. C. Luo, Y. Wu, L. P. Ju, Computational and Theoretical Chemistry 963, 475 (2011) http://dx.doi.org/10.1016/j.comptc.2010.11.016[Crossref]
  • [112] L. H. Kang, Int. J. Quantum Chem. 111, 117 (2011) http://dx.doi.org/10.1002/qua.22399[Crossref]
  • [113] X. F. Yue, X. Y. Miao, J. Chem. Sci. 123, 21 (2011) http://dx.doi.org/10.1007/s12039-011-0063-x[Crossref]
  • [114] F. J. Aoiz, M. Brouard, V. J. Herrero, V. Saez Rabanos, K. Stark, Chem. Phys. Lett. 264, 487 (1997) http://dx.doi.org/10.1016/S0009-2614(96)01365-6[Crossref]
  • [115] P. Wang, J. Theor. Comput. Chem. 10, 111 (2011) http://dx.doi.org/10.1142/S0219633611006530[Crossref]
  • [116] K. S. Bradley, G. C. Schatz, J. Chem. Phys. 106, 8464 (1997) http://dx.doi.org/10.1063/1.473923[Crossref]
  • [117] K. S. Bradley, G. C. Schatz, J. Chem. Phys. 108, 7994 (1998) http://dx.doi.org/10.1063/1.476234[Crossref]
  • [118] G. S. Wu, G. C. Schatz, J. Chem. Phys. 113, 3150 (2000) http://dx.doi.org/10.1063/1.1287329[Crossref]
  • [119] S. L. Zou, S. Skokov, J. M. Bowman, J. Phys. Chem. A 105, 2423 (2001) http://dx.doi.org/10.1021/jp003773i[Crossref]
  • [120] S. L. Zou, S. Skokov, J. M. Bowman, Chem. Phys. Lett. 339, 290 (2001) http://dx.doi.org/10.1016/S0009-2614(01)00297-4[Crossref]
  • [121] S. L. Zou, J. M. Bowman, J. Chem. Phys. 116, 6667 (2002) http://dx.doi.org/10.1063/1.1462580[Crossref]
  • [122] S. L. Zou, J. M. Bowman, J. Chem. Phys. 117, 5507 (2002) http://dx.doi.org/10.1063/1.1507118[Crossref]
  • [123] S. L. Zou, J. M. Bowman, Chem. Phys. Lett. 368, 421 (2003) http://dx.doi.org/10.1016/S0009-2614(02)01911-5[Crossref]
  • [124] S. L. Zou, J. M. Bowman, A. Brown, J. Chem. Phys. 118, 10012 (2003) http://dx.doi.org/10.1063/1.1571520[Crossref]
  • [125] A. Zanchet et al., J. Phys. Chem. A 113, 14488 (2009) http://dx.doi.org/10.1021/jp9038946[Crossref]
  • [126] B. Li, K. L. Han, J. Phys. Chem. A 113, 10189 (2009) http://dx.doi.org/10.1021/jp904727d[Crossref]
  • [127] M. D. Hack, D. G. Truhlar, J. Chem. Phys. 114, 9305 (2001) http://dx.doi.org/10.1063/1.1368388[Crossref]
  • [128] C. Zhu, A. W. Jasper, D. G. Truhlar, J. Chem. Phys. 120, 5543 (2004) http://dx.doi.org/10.1063/1.1648306[Crossref]
  • [129] C. Zhu, S. Nangia, A. W. Jasper, D. G. Truhlar, J. Chem. Phys. 121, 7658 (2004) http://dx.doi.org/10.1063/1.1793991[Crossref]
  • [130] X. B. Wang, M. Ben-Num, R. D. Levine, Chem. Phys. 197, 1 (1995) http://dx.doi.org/10.1016/0301-0104(95)00134-A[Crossref]
  • [131] M. L. Wang, K. L. Han, G. Z. He, N. Q. Lou, Phys. Chem. Chem. Phys. 101, 1527 (1997)
  • [132] M. P. De Miranda, D. C. Clary, J. F. Castillo, D. E. Manolopoulos, J. Chem. Phys. 108, 3142 (1998) http://dx.doi.org/10.1063/1.476369[Crossref]
  • [133] W. Bian, H. J. Werner, J. Chem. Phys. 112 220 (2000) http://dx.doi.org/10.1063/1.480574[Crossref]
  • [134] D. Troga, I. Banos, M. Gonzalez, G. S. Wu, M. A. Terhorst, G. C. Schatz, J. Chem. Phys. 113, 6253 (2000) http://dx.doi.org/10.1063/1.1308090[Crossref]
  • [135] M. Alagia et al., Phys. Chem. Chem. Phys. 2, 599 (2000) http://dx.doi.org/10.1039/a908829f[Crossref]
  • [136] B. H. Yang, H. T. Gao, K. L. Han, J. Z. H. Zhang, J. Chem. Phys. 113, 1434 (2000) http://dx.doi.org/10.1063/1.481933[Crossref]
  • [137] B. H. Yang, H. M. Yin, K. L. Han, J. Z. H. Zhang, J. Phys. Chem. A 104, 10517 (2000) http://dx.doi.org/10.1021/jp0014115[Crossref]
  • [138] B. H. Yang, B. Y. Tang, H. M. Yin, K. L. Han, J. Z. H. Zhang, J. Chem. Phys. 113, 7182 (2000) http://dx.doi.org/10.1063/1.1311799[Crossref]
  • [139] S. C. Cheng, C. Zhu, K. K. Liang, S. H. Lin, D. G. Truhlar, J. Chem. Phys. 129, 024112 (2008) http://dx.doi.org/10.1063/1.2948395[Crossref]
  • [140] R. Valero, D. G. Truhlar, A. W. Jasper, J. Phys. Chem. A 112, 5756 (2008) http://dx.doi.org/10.1021/jp800738b[Crossref]
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