2011, Vol. 28(2): 23101-023101 DOI: 10.1088/0256-307X/28/2/023101 | ||
QCT Calculations of Reactions of F+LiH→LiF+H and F+LiD→LiF+D: Product Polarization and Isotope Effects | ||
WANG Tao1, YUE Xian-Fang2 | ||
1School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 2Department of Physics and Information Engineering, Jining University, Jining 273155 |
||
收稿日期 2010-10-19 修回日期 1900-01-01 | ||
Supporting info | ||
[1] Becker C H, Casavecchia P, Tiedemann P W, Valentini J J and Lee Y T 1980 J. Chem. Phys. 73 2833 [2] Loesch H J, Stenzel S and Wüstenbecker B 1991 J. Chem. Phys. 95 3841 [3] Loesch H J and Stienkemeier F 1993 J. Chem. Phys. 99 9598 [4] Loesch H J and Stienkemeier F 1993 J. Chem. Phys. 98 9570 [5] Parker G A, Laganà A, Crocchianti S and Pack R T 1995 J. Chem. Phys. 102 1238 [6] Aguado A, Paniagua M, Lara M and Roncero O 1997 J. Chem. Phys. 106 1013 [7] Aguado A, Paniagua M, Lara M and Roncero O 1997 J. Chem. Phys. 107 10085 [8] Lara M, Aguado A, Paniagua M and Roncero O 1998 J. Chem. Phys. 109 9391 [9] Laganà A, Bolloni A, Grocchianti S and Parker G A 2000 J. Phys. Chem. 324 466 [10] Baer M, Last I and Loesch H J 1994 J. Chem. Phys. 101 9648 [11] Zhu W, Wang D and Zhang J Z H 1997 Theor. Chem. Acc. 96 31 [12] Lara M, Aguado A, Paniagua M and Roncero O 2000 J. Chem. Phys. 113 1781 [13] Aoiz F J, Martínez M T, Menéndez M, Sáez Rábanos V and Verdasco E 1999 Chem. Phys. Lett. 299 25 [14] Aoiz F J, Verdasco E, Sáez Rábanos V, Loesch H J, Menendez M and Stienkemeier F 2000 Phys. Chem. Chem. Phys. 2 541 [15] Aoiz F J, Martínez M T and Sáez Rábanos V 2001 J. Chem. Phys. 114 8880 [16] Yuan M H and Zhao G J 2010 Int. J. Quantum Chem. 110 1842 [17] Liu X G, Kong H, Xu W W, Liang J J, Zong F J and Zhang Q G 2009 J. Mol. Struct.: Theochem. 908 117 [18] Kong H, Liu X G, Xu W W and Zhang Q G 2009 Chin. Phys. Lett. 26 053102 [19] Xu W W, Liu X G, Luan S X, Sun S S and Zhang Q G 2009 Chin. Phys. B 18 339 [20] Zhao J, Xu Y and Meng Q T 2009 J. Phys. B: At. Mol. Opt. Phys. 42 165006 [21] Chu T S and Han K L 2008 Phys. Chem. Chem. Phys. 10 2431 [22] Li W L, Wang M S, Yang C L, Liu W W, Sun C and Ren T Q 2007 Chem. Phys. 337 93 [23] Chu T S, Zhang Y and Han K L 2006 Int. Rev. Phys. Chem. 25 201 [24] Aguado A, Suárez C and Paniagua M 1995 Chem. Phys. 201 107 [25] Aguado A and Paniagua M 1992 J. Chem. Phys. 96 1265 [26] Chen M M L and Schaefer H F 1980 J. Chem. Phys. 72 4376 [27] Varandas A J C 1988 Adv. Chem. Phys. 74 255 [28] Wang M L, Han K L and He G Z 1998 J. Chem. Phys 109 5446 [29] Chen M D, Han K L and Lou N Q 2002 Chem. Phys. Lett. 357 483 [30] Chen M D, Wang M L, Han K L and Ding S L 1999 Chem. Phys. Lett. 301 303 [31] Chen M D, Han K and Lou N Q 2003 J. Chem. Phys. 118 4463 [32] Wang M L, Han K L and He G Z 1998 J. Phys. Chem. A 102 10204 [33] Han K L, He G Z and Lou N Q 1996 J. Chem. Phys. 105 8699 [34] Zhang X and Han K L2006 Inter. Quant. Chem. 106 1815 [35] Li R J, Han K L, Li F E, Lu R C, He G Z and Lou N Q 1994 Chem. Phys. Lett. 220 281 [36] Lin S Y, Han K L and Zhang J Z H 2000 Chem. Phys. Lett. 324 122 [37] Aoiz F J, Brouard M and Enriquez P A 1996 J. Chem. Phys. 105 4964 |
||