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

• Authors: Wenwu Xu , Guangjiu Zhao
• Languages of publication: EN

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.

Keywords

EN

stereodynamics; quasi-classical trajectory; alignment and orientation; mixed quantum-classical method; vector correlation

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2012
• Volume: 10
• Issue: 2
• Pages: 253-270

Dates

published

1 - 4 - 2012

online

31 - 3 - 2012

Contributors

author

Wenwu Xu

• State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, 116023, China

author

Guangjiu Zhao

• State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, 116023, China

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]

Identifiers

DOI

10.2478/s11534-011-0107-3