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Based on semiemperical London-Eyring-Polanyi-Sato (LEPS) potential energy surface (PES), stereodynamic properties of the reaction Sr+CH3I→SrI+CH3 in different initial reagent collision energies are studied theoretically by using the quasiclassical trajectory method. The results indicate that the collision energy of reagent has considerable influences on the orientations and alignments of angular momentum of products for the title reaction.
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Keywords:
- quasiclassical trajectory /
- vector correlations /
- stereodynamics
[1] Xu D L, Chen W, He G Z, Lou N Q 1994 J. Chem. Phys. 10 941 (in Chinese) [徐大力, 陈卫, 何国钟, 楼南泉 1994 物理化学学报 10 941]
[2] Xu Q X, Mackay F S, Aoiz F J, Bernstein R B 1992 J. Chem. Phys. 96 1896
[3] Keijzer F, Teule J M, Bulthuis J, de Graaff G J, Hilgeman M H, Janssen M H M, van Kleef E H, van Leuken J J, Stolte S 1996 Chem. Phys. 207 261
[4] Wang M L, Han K L, Zhan J P, Wei-Keh W V, He G Z, Lou N Q 1997 Chem. Phys. Lett. 278 307
[5] Li R J, Han K L, Li F E, Lu R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281
[6] Zhao X X, Li Y M 2008 J. At. Mol. Phys. 25 1345 (in Chinese) [赵小学, 李亚民 2008 原子与分子 25 1345]
[7] Kim S K, Herschbach D R 1987 Fara. Disc. Chem. Soc. 84 159
[8] Shafer-Ray N E, Orr-Ewing A J, Zare R N 1995 J. Phys. Chem. 99 7591
[9] Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964
[10] Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[11] Miranda M P, Clary D C 1997 J. Chem. Phys. 106 4509
[12] Aoiz F J, Banares L, Herrero V J 1998 J. Chem. Soc. Faraday Trans. 94 2483
[13] Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
[14] Chen M D, Wang M L, Han K L, Ding S L 1999 Chem. Phys. Lett. 301 303
[15] Chen M D, Han K L, Lou N Q 2002 Chem. Phys. 283 463
[16] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[17] Ma J J, Chen M D, Cong S L, Han K L 2006 Chem. Phys. 327 529
[18] Ma J J, Zhang Z H, Cong S L 2006 Acta Phys. Chem. Sin. 22 972
[19] Ma J J, Zou Y, Liu H T 2013 Chin. Phys. B 22 063402
[20] Yu Y J, Xu Q, Xu X W 2011 Chin. Phys. B 20 123402
[21] Chen X Q, Wang M S, Yang C L, Wu J C 2012 Chin. Phys. B 21 023402
[22] Xu W W, Liu X G, Luan S X, Sun S S, Zhang Q G 2009 Chin. Phys. B 18 339
[23] Xu Z H, Zong F J, Han B R, Dong S H, Liu J Q, Ji F 2012 Chin. Phys. B 21 093103
[24] Xia W W, Lu N, Zhong H Y, Yao L 2010 Can. J. Chem. 87 1103
[25] Han K L, He G Z, Lou N Q 1989 J. Chem. Phys. 2 323 (in Chinese) [韩克利, 何国钟, 楼南泉 1989 化学 2 323]
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[1] Xu D L, Chen W, He G Z, Lou N Q 1994 J. Chem. Phys. 10 941 (in Chinese) [徐大力, 陈卫, 何国钟, 楼南泉 1994 物理化学学报 10 941]
[2] Xu Q X, Mackay F S, Aoiz F J, Bernstein R B 1992 J. Chem. Phys. 96 1896
[3] Keijzer F, Teule J M, Bulthuis J, de Graaff G J, Hilgeman M H, Janssen M H M, van Kleef E H, van Leuken J J, Stolte S 1996 Chem. Phys. 207 261
[4] Wang M L, Han K L, Zhan J P, Wei-Keh W V, He G Z, Lou N Q 1997 Chem. Phys. Lett. 278 307
[5] Li R J, Han K L, Li F E, Lu R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281
[6] Zhao X X, Li Y M 2008 J. At. Mol. Phys. 25 1345 (in Chinese) [赵小学, 李亚民 2008 原子与分子 25 1345]
[7] Kim S K, Herschbach D R 1987 Fara. Disc. Chem. Soc. 84 159
[8] Shafer-Ray N E, Orr-Ewing A J, Zare R N 1995 J. Phys. Chem. 99 7591
[9] Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964
[10] Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[11] Miranda M P, Clary D C 1997 J. Chem. Phys. 106 4509
[12] Aoiz F J, Banares L, Herrero V J 1998 J. Chem. Soc. Faraday Trans. 94 2483
[13] Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446
[14] Chen M D, Wang M L, Han K L, Ding S L 1999 Chem. Phys. Lett. 301 303
[15] Chen M D, Han K L, Lou N Q 2002 Chem. Phys. 283 463
[16] Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463
[17] Ma J J, Chen M D, Cong S L, Han K L 2006 Chem. Phys. 327 529
[18] Ma J J, Zhang Z H, Cong S L 2006 Acta Phys. Chem. Sin. 22 972
[19] Ma J J, Zou Y, Liu H T 2013 Chin. Phys. B 22 063402
[20] Yu Y J, Xu Q, Xu X W 2011 Chin. Phys. B 20 123402
[21] Chen X Q, Wang M S, Yang C L, Wu J C 2012 Chin. Phys. B 21 023402
[22] Xu W W, Liu X G, Luan S X, Sun S S, Zhang Q G 2009 Chin. Phys. B 18 339
[23] Xu Z H, Zong F J, Han B R, Dong S H, Liu J Q, Ji F 2012 Chin. Phys. B 21 093103
[24] Xia W W, Lu N, Zhong H Y, Yao L 2010 Can. J. Chem. 87 1103
[25] Han K L, He G Z, Lou N Q 1989 J. Chem. Phys. 2 323 (in Chinese) [韩克利, 何国钟, 楼南泉 1989 化学 2 323]
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