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The influences of isotopic variant and collision energy on the stereodynamics in the N(4S)+H2 reaction are investigated by using the quasi-classical trajectory method on the calculated DMBE potential energy surface. The angular distributions of P(r), P(r) and P(r, r), which reflect the vector correlation of k-j' and k-k'-j', differential cross sections,integral cross sections are calculated and discussed in detail. Moreover,the influences of collision energy variant in a collision energy range of 25-80~kcal/mol in the three reactions N+H2,N+D2 and N+T2 are also studied The results indicate that the stereodynamic properties of the reactions are influenced by intermolecular isotope and collision energies.
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Keywords:
- quasi-classical trajectory /
- vector correlation /
- isotopic effects /
[1] Koshi M, Yoshimura M, Fukuda K, Matsui H, Saito K, Watanabe M, Imamura A, Chen C G 1990 J. Chem. Phys. 93 8703
[2] Takayanagi T, Kurosaki Y, Yokoyama K 2000 Chem. Phys. Lett. 321 106
[3] Zhang S W, Truong T N 2000 J. Chem. Phys. 113 5
[4] Pascual R Z, Schatz G C, Lendvay G, Troya D 2002 J. Phys. Chem. A 106 4125
[5] Davidson D F, Hanson R K 1990 Int. J. Chem. Kinet. 22 843
[6] Poveda L A, Varandas A J C 2005 Phys. Chem. Chem. Phys. 7 2867
[7] Han B, Yang H, Zheng Y J, Varandas A J C 2010 Chem. Phys. Lett. 493 225
[8] Adam L, Hack W, Zhu H, Qu Z W, Schinke R 2005 J. Chem. Phys. 122 114301
[9] Wang M L, Han K L, He G Z 1998 J. Phys. Chem. A 102 10204
[10] Zhang W Q, Cong S L, Zhang C H, Xu X S, Chen M D 2009 J. Phys. Chem. A 113 4192
[11] Li R J, Han K L, Li F E, Lu R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281
[12] Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[13] Chu T S 2010 J. Comput. Chem. 31 1385
[14] Shaferray N E, Orrewing A J, Zare R N 1995 J. Phys. Chem. 99 7591
[15] Brouard M, Lambert H M, Rayner S P, Simons J P 1996 Mol. Phys. 89 403
[16] Wang M L, Han K L, He G Z 1998 J .Chem. Phys. 109 9
[17] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 8
[18] Chen M D, Han K L, Lou N Q 2002 J. Chem. Phys. 283 463
[19] Zhang X, Han K L 2006 Int. J. Quant. Chem. 106 1815
[20] Han K L, Zhang L, Xu D L, He G Z, Lou N Q 2001 J. Phys. Chem. A 105 2956
[21] Zhang J P, Yang H P, Han K L, Deng W Q, He G Z, Lou N Q 1997 J. Phys. Chem. A 101 7486
[22] Zhang L, Chen M D, Wang M L, Han K L 2000 J. Chem. Phys. 112 7
[23] Ju L P, Han K L, Zhang J Z H 2009 J. Comput. Chem. 30 305
[24] Zhang J, Chu T S, Dong S L, Yuan S P, Fu A P, Dan Y B 2011 Chin. Phys. Lett. 28 093403
[25] Yu Y J, Xu Q, Xu X W 2011 Chin. Phys. B 20 123402
[26] Yue X F 2012 Chin. Phys. B 21 073401
[27] Zhao J, Xu Y, Meng Q T 2010 Chin. Phys. B 19 063401
[28] Yue D G, Zheng X Y, Liu H, Meng Q T 2009 Chin. Phys. B 18 1479
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[1] Koshi M, Yoshimura M, Fukuda K, Matsui H, Saito K, Watanabe M, Imamura A, Chen C G 1990 J. Chem. Phys. 93 8703
[2] Takayanagi T, Kurosaki Y, Yokoyama K 2000 Chem. Phys. Lett. 321 106
[3] Zhang S W, Truong T N 2000 J. Chem. Phys. 113 5
[4] Pascual R Z, Schatz G C, Lendvay G, Troya D 2002 J. Phys. Chem. A 106 4125
[5] Davidson D F, Hanson R K 1990 Int. J. Chem. Kinet. 22 843
[6] Poveda L A, Varandas A J C 2005 Phys. Chem. Chem. Phys. 7 2867
[7] Han B, Yang H, Zheng Y J, Varandas A J C 2010 Chem. Phys. Lett. 493 225
[8] Adam L, Hack W, Zhu H, Qu Z W, Schinke R 2005 J. Chem. Phys. 122 114301
[9] Wang M L, Han K L, He G Z 1998 J. Phys. Chem. A 102 10204
[10] Zhang W Q, Cong S L, Zhang C H, Xu X S, Chen M D 2009 J. Phys. Chem. A 113 4192
[11] Li R J, Han K L, Li F E, Lu R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281
[12] Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[13] Chu T S 2010 J. Comput. Chem. 31 1385
[14] Shaferray N E, Orrewing A J, Zare R N 1995 J. Phys. Chem. 99 7591
[15] Brouard M, Lambert H M, Rayner S P, Simons J P 1996 Mol. Phys. 89 403
[16] Wang M L, Han K L, He G Z 1998 J .Chem. Phys. 109 9
[17] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 8
[18] Chen M D, Han K L, Lou N Q 2002 J. Chem. Phys. 283 463
[19] Zhang X, Han K L 2006 Int. J. Quant. Chem. 106 1815
[20] Han K L, Zhang L, Xu D L, He G Z, Lou N Q 2001 J. Phys. Chem. A 105 2956
[21] Zhang J P, Yang H P, Han K L, Deng W Q, He G Z, Lou N Q 1997 J. Phys. Chem. A 101 7486
[22] Zhang L, Chen M D, Wang M L, Han K L 2000 J. Chem. Phys. 112 7
[23] Ju L P, Han K L, Zhang J Z H 2009 J. Comput. Chem. 30 305
[24] Zhang J, Chu T S, Dong S L, Yuan S P, Fu A P, Dan Y B 2011 Chin. Phys. Lett. 28 093403
[25] Yu Y J, Xu Q, Xu X W 2011 Chin. Phys. B 20 123402
[26] Yue X F 2012 Chin. Phys. B 21 073401
[27] Zhao J, Xu Y, Meng Q T 2010 Chin. Phys. B 19 063401
[28] Yue D G, Zheng X Y, Liu H, Meng Q T 2009 Chin. Phys. B 18 1479
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