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The stereodynamics of the H+NH reaction and its isotopic variants are investigated by the quasi-classical trajectory method at the collision energies of 8 kcal/mol and 16 kcal/mol based on the ground state potential energy surface of NH2 reported by Zhai and Han [Zhai H S, Han K L 2011 J. Chem. Phys. 135 104314]. Vector correlations of k- j' and k- k'- j', such as angular distributions of P(θr), P(φr), P(θr, φr) and the distributions of the polarization-dependent differential cross-sections are discussed in detail. The results indicate that for the two collision energies, the isotopic effect on sterodynamic property of H+NH reaction is apparent which could be attributed to the difference in mass factor in isotopy-susbstituting reaction.
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Keywords:
- quasi-classical trajectory method /
- stereodynamics /
- vector correlations /
- isotopic effect
[1] Koshi M, Yoshimura M, Fukuda K, Matsui H, Saito K, Watanabe M, Imamura A, Chen C X 1990 J. Chem. Phys. 93 8703
[2] Davidson D F, Hanson R K 1990 Int. J. Chem. Kinet. 22 843
[3] Pascual R Z, Schatz G C, Lendvay G, Troya D 2002 J. Phys. Chem. A 106 4125
[4] Adam L, Hack W, Zhu H, Qu Z W, Schinke R 2005 J. Chem. Phys. 122 114301
[5] Poveda L A, Varandas A J C 2005 Phys. Chem. Chem. Phys. 7 2867
[6] Han B R, Yang H, Zheng Y J, Varandas A J C 2010 Chem. Phys. Lett. 493 225
[7] Zhai H S, Han K L 2011 J. Chem. Phys. 135 104314
[8] He D, Wang M S, Yang C L, Jiang Z J 2013 Chin. Phys. B 22 068201
[9] Wei Q 2014 Chin. Phys. B 23 023401
[10] Li Z, Xie C J, Jiang B, Xie D Q, Liu L, Sun Z G, Zhang D H, Guo H 2011 J. Chem. Phys. 134 134303
[11] Zhang W Q, Cong S L, Zhang C H, Xu X S, Chen M D 2009 J. Phys. Chem. A 113 4192
[12] Han K L, Zheng X G, Sun B F, He G Z, Zhang R Q 1991 Chem. Phys. Lett. 181 474
[13] Han K L, Zhang L, Xu D L, He G Z, Lou N Q 2001 J. Phys. Chem. A 105 2956
[14] Duan L H, Zhang W Q, Xu X S, Cong S L, Chen M D 2009 Mol. Phys. 107 2579
[15] Xiao J, Yang C L, Wang M S 2012 Chin. Phys. B 21 043101
[16] Brouard M, Burak I, Hughes D W, Kalogerakis K S, Simons J P, Stavros V 2000 J. Chem. Phys. 113 3173
[17] Li X H, Wang M S, Pino I, Yang C L, Ma L Z 2009 Phys. Chem. Chem. Phys. 11 10438
[18] Zhang J, Chu T S, Dong S L, Yuan S P, Fu A P, Duan Y B 2011 Chin. Phys. Lett. 28 093403
[19] Jiang Z J, Wang M S, Yang C L, He D 2013 Chem. Phys. 415 8
[20] Wang M L, Han K L, He G Z, Lou N Q 1998 Chem. Phys. Lett. 284 200
[21] Gustafsson M, Skodje R T 2007 Chem. Phys. Lett. 434 20
[22] Yang T G, Yuan J C, Cheng D H, Chen M D 2013 Commun. Comput. Chem. 1 15
[23] Zhao J, Xu Y, Yue D G, Meng Q T 2009 Chem. Phys. Lett. 471 160
[24] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[25] Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964
[26] Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
[27] Aoiz F J, Herrero V J, Sáez R V 1992 J. Chem. Phys. 97 7423
[28] Zhang W Q, Li Y Z, Xu X S, Chen M D 2010 Chem. Phys. 367 115
[29] Zhao J, Xu Y, Meng Q T 2010 Chin. Phys. B 19 063403
[30] Zhang C H, Zhang W Q, Chen M D 2009 J. Theor. Comput. Chem. 8 403
[31] Yue X F, Cheng J, Li H, Zhang Y Q, Wu E L 2010 Chin. Phys. B 19 043401
[32] Li R J, Han K L, Li F E, Lu R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281
[33] Xia W Z, Yu Y J, Yang C L 2012 Acta Phys. Sin. 61 223401 (in Chinese) [夏文泽, 于永江, 杨传路 2012 61 223401]
[34] Wang M L, Han K L, He G Z 1998 J. Phys. Chem. A 102 10204
[35] Xu Y, Zhao J, Wang J, Liu F, Meng Q T 2010 Acta Phys. Sin. 59 3885 (in Chinese) [许燕, 赵娟, 王军, 刘芳, 孟庆田 2010 59 3885]
[36] Li W L, Wang M S, Yang C L, Liu W W, Sun C, Ren T Q 2007 Chem. Phys. 337 93
[37] Chen M D, Han K L, Lou N Q 2002 Chem. Phys. Lett. 357 483
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[1] Koshi M, Yoshimura M, Fukuda K, Matsui H, Saito K, Watanabe M, Imamura A, Chen C X 1990 J. Chem. Phys. 93 8703
[2] Davidson D F, Hanson R K 1990 Int. J. Chem. Kinet. 22 843
[3] Pascual R Z, Schatz G C, Lendvay G, Troya D 2002 J. Phys. Chem. A 106 4125
[4] Adam L, Hack W, Zhu H, Qu Z W, Schinke R 2005 J. Chem. Phys. 122 114301
[5] Poveda L A, Varandas A J C 2005 Phys. Chem. Chem. Phys. 7 2867
[6] Han B R, Yang H, Zheng Y J, Varandas A J C 2010 Chem. Phys. Lett. 493 225
[7] Zhai H S, Han K L 2011 J. Chem. Phys. 135 104314
[8] He D, Wang M S, Yang C L, Jiang Z J 2013 Chin. Phys. B 22 068201
[9] Wei Q 2014 Chin. Phys. B 23 023401
[10] Li Z, Xie C J, Jiang B, Xie D Q, Liu L, Sun Z G, Zhang D H, Guo H 2011 J. Chem. Phys. 134 134303
[11] Zhang W Q, Cong S L, Zhang C H, Xu X S, Chen M D 2009 J. Phys. Chem. A 113 4192
[12] Han K L, Zheng X G, Sun B F, He G Z, Zhang R Q 1991 Chem. Phys. Lett. 181 474
[13] Han K L, Zhang L, Xu D L, He G Z, Lou N Q 2001 J. Phys. Chem. A 105 2956
[14] Duan L H, Zhang W Q, Xu X S, Cong S L, Chen M D 2009 Mol. Phys. 107 2579
[15] Xiao J, Yang C L, Wang M S 2012 Chin. Phys. B 21 043101
[16] Brouard M, Burak I, Hughes D W, Kalogerakis K S, Simons J P, Stavros V 2000 J. Chem. Phys. 113 3173
[17] Li X H, Wang M S, Pino I, Yang C L, Ma L Z 2009 Phys. Chem. Chem. Phys. 11 10438
[18] Zhang J, Chu T S, Dong S L, Yuan S P, Fu A P, Duan Y B 2011 Chin. Phys. Lett. 28 093403
[19] Jiang Z J, Wang M S, Yang C L, He D 2013 Chem. Phys. 415 8
[20] Wang M L, Han K L, He G Z, Lou N Q 1998 Chem. Phys. Lett. 284 200
[21] Gustafsson M, Skodje R T 2007 Chem. Phys. Lett. 434 20
[22] Yang T G, Yuan J C, Cheng D H, Chen M D 2013 Commun. Comput. Chem. 1 15
[23] Zhao J, Xu Y, Yue D G, Meng Q T 2009 Chem. Phys. Lett. 471 160
[24] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[25] Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964
[26] Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
[27] Aoiz F J, Herrero V J, Sáez R V 1992 J. Chem. Phys. 97 7423
[28] Zhang W Q, Li Y Z, Xu X S, Chen M D 2010 Chem. Phys. 367 115
[29] Zhao J, Xu Y, Meng Q T 2010 Chin. Phys. B 19 063403
[30] Zhang C H, Zhang W Q, Chen M D 2009 J. Theor. Comput. Chem. 8 403
[31] Yue X F, Cheng J, Li H, Zhang Y Q, Wu E L 2010 Chin. Phys. B 19 043401
[32] Li R J, Han K L, Li F E, Lu R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281
[33] Xia W Z, Yu Y J, Yang C L 2012 Acta Phys. Sin. 61 223401 (in Chinese) [夏文泽, 于永江, 杨传路 2012 61 223401]
[34] Wang M L, Han K L, He G Z 1998 J. Phys. Chem. A 102 10204
[35] Xu Y, Zhao J, Wang J, Liu F, Meng Q T 2010 Acta Phys. Sin. 59 3885 (in Chinese) [许燕, 赵娟, 王军, 刘芳, 孟庆田 2010 59 3885]
[36] Li W L, Wang M S, Yang C L, Liu W W, Sun C, Ren T Q 2007 Chem. Phys. 337 93
[37] Chen M D, Han K L, Lou N Q 2002 Chem. Phys. Lett. 357 483
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