SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 122, Issue 14, 2005, Pages

Density functional study of the interaction of chlorine atom with small neutral and charged silver clusters

(4) Zhao, Shuang a Li, Zhen Hua a Wang, Wen Ning a Fan, Kang Nian a

a FUDAN UNIVERSITY (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGED SILVER CLUSTERS; CHLORINE ADSORPTION; CHLORINE ATOMS; CHLORINE BINDING;

ADSORPTION; ALKALI METALS; BINDING ENERGY; CATALYSIS; CHARGED PARTICLES; CHEMISORPTION; ELECTRON DIFFRACTION; ELECTRON MICROSCOPY; MOLECULAR STRUCTURE; NANOSTRUCTURED MATERIALS; OXIDATION; PROBABILITY DENSITY FUNCTION; SILVER;

CHLORINE;

EID: 20844447576 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1873612 Document Type: Article

Times cited : (48)

References (82)

1
- 0002423257
- M. B. Knickelbein, Annu. Rev. Phys. Chem. 50, 79 (1999).
- (1999) Annu. Rev. Phys. Chem. , vol.50 , pp. 79
- Knickelbein, M.B.¹

2
- 0032508688
- M. Valden, X. Lai, and D. W. Goodman, Science 281, 1647 (1998).
- (1998) Science , vol.281 , pp. 1647
- Valden, M.¹ Lai, X.² Goodman, D.W.³

3
- 0037039662
- 0022-0728
- X. Jin, L. Zhuang, and J. Lu, J. Electroanal. Chem. 0022-0728 519, 137 (2002); P. A. Busch, S. P. Cheston, and D. S. Greywall, Cryogenics 0011-2275 10.1016/0011-2275(84)90021-3 24, 445 (1984); A. P. Padilla, J. A. Rodríguez, and H. A. Saitúa, Desalination 114, 203 (1997).
- (2002) J. Electroanal. Chem. , vol.519 , pp. 137
- Jin, X.¹ Zhuang, L.² Lu, J.³

4
- 0011072816
- 0011-2275 10.1016/0011-2275(84)90021-3
- X. Jin, L. Zhuang, and J. Lu, J. Electroanal. Chem. 0022-0728 519, 137 (2002); P. A. Busch, S. P. Cheston, and D. S. Greywall, Cryogenics 0011-2275 10.1016/0011-2275(84)90021-3 24, 445 (1984); A. P. Padilla, J. A. Rodríguez, and H. A. Saitúa, Desalination 114, 203 (1997).
- (1984) Cryogenics , vol.24 , pp. 445
- Busch, P.A.¹ Cheston, S.P.² Greywall, D.S.³

5
- 0031402521
- X. Jin, L. Zhuang, and J. Lu, J. Electroanal. Chem. 0022-0728 519, 137 (2002); P. A. Busch, S. P. Cheston, and D. S. Greywall, Cryogenics 0011-2275 10.1016/0011-2275(84)90021-3 24, 445 (1984); A. P. Padilla, J. A. Rodríguez, and H. A. Saitúa, Desalination 114, 203 (1997).
- (1997) Desalination , vol.114 , pp. 203
- Padilla, A.P.¹ Rodríguez, J.A.² Saitúa, H.A.³

6
- 0002930208
- 0039-6028
- M. Kitson and R. M. Lambert, Surf. Sci. 0039-6028 109, 60 (1981); J. H. Wang, W. L. Dai, and J. F. Deng, Appl. Surf. Sci. 0169-4332 126, 148 (1998); J. K. Baird, T. R. King, and C. Stein, J. Phys. Chem. Solids 0022-3697 60, 891 (1999); V. I. Bukhtiyarov and V. V. Kaichev, J. Mol. Catal. A: Chem. 1381-1169 158, 167 (2000); M. R. Salazar, C. Saravanan, J. D. Kress, and A. Redondo, Surf. Sci. 449, 75 (2000).
- (1981) Surf. Sci. , vol.109 , pp. 60
- Kitson, M.¹ Lambert, R.M.²

7
- 0032045510
- 0169-4332
- M. Kitson and R. M. Lambert, Surf. Sci. 0039-6028 109, 60 (1981); J. H. Wang, W. L. Dai, and J. F. Deng, Appl. Surf. Sci. 0169-4332 126, 148 (1998); J. K. Baird, T. R. King, and C. Stein, J. Phys. Chem. Solids 0022-3697 60, 891 (1999); V. I. Bukhtiyarov and V. V. Kaichev, J. Mol. Catal. A: Chem. 1381-1169 158, 167 (2000); M. R. Salazar, C. Saravanan, J. D. Kress, and A. Redondo, Surf. Sci. 449, 75 (2000).
- (1998) Appl. Surf. Sci. , vol.126 , pp. 148
- Wang, J.H.¹ Dai, W.L.² Deng, J.F.³

8
- 0032682471
- 0022-3697
- M. Kitson and R. M. Lambert, Surf. Sci. 0039-6028 109, 60 (1981); J. H. Wang, W. L. Dai, and J. F. Deng, Appl. Surf. Sci. 0169-4332 126, 148 (1998); J. K. Baird, T. R. King, and C. Stein, J. Phys. Chem. Solids 0022-3697 60, 891 (1999); V. I. Bukhtiyarov and V. V. Kaichev, J. Mol. Catal. A: Chem. 1381-1169 158, 167 (2000); M. R. Salazar, C. Saravanan, J. D. Kress, and A. Redondo, Surf. Sci. 449, 75 (2000).
- (1999) J. Phys. Chem. Solids , vol.60 , pp. 891
- Baird, J.K.¹ King, T.R.² Stein, C.³

9
- 0034622687
- 1381-1169
- M. Kitson and R. M. Lambert, Surf. Sci. 0039-6028 109, 60 (1981); J. H. Wang, W. L. Dai, and J. F. Deng, Appl. Surf. Sci. 0169-4332 126, 148 (1998); J. K. Baird, T. R. King, and C. Stein, J. Phys. Chem. Solids 0022-3697 60, 891 (1999); V. I. Bukhtiyarov and V. V. Kaichev, J. Mol. Catal. A: Chem. 1381-1169 158, 167 (2000); M. R. Salazar, C. Saravanan, J. D. Kress, and A. Redondo, Surf. Sci. 449, 75 (2000).
- (2000) J. Mol. Catal. A: Chem. , vol.158 , pp. 167
- Bukhtiyarov, V.I.¹ Kaichev, V.V.²

10
- 0342323882
- M. Kitson and R. M. Lambert, Surf. Sci. 0039-6028 109, 60 (1981); J. H. Wang, W. L. Dai, and J. F. Deng, Appl. Surf. Sci. 0169-4332 126, 148 (1998); J. K. Baird, T. R. King, and C. Stein, J. Phys. Chem. Solids 0022-3697 60, 891 (1999); V. I. Bukhtiyarov and V. V. Kaichev, J. Mol. Catal. A: Chem. 1381-1169 158, 167 (2000); M. R. Salazar, C. Saravanan, J. D. Kress, and A. Redondo, Surf. Sci. 449, 75 (2000).
- (2000) Surf. Sci. , vol.449 , pp. 75
- Salazar, M.R.¹ Saravanan, C.² Kress, J.D.³ Redondo, A.⁴

11
- 0016450764
- 0161-4940
- P. A. Kilty and W. M. H. Sachtler, Catal. Rev. - Sci. Eng. 0161-4940 10, 1 (1974); C. T. Campbell, J. Catal. 99, 28 (1986).
- (1974) Catal. Rev. - Sci. Eng. , vol.10 , pp. 1
- Kilty, P.A.¹ Sachtler, W.M.H.²

12
- 0002256665
- P. A. Kilty and W. M. H. Sachtler, Catal. Rev. - Sci. Eng. 0161-4940 10, 1 (1974); C. T. Campbell, J. Catal. 99, 28 (1986).
- (1986) J. Catal. , vol.99 , pp. 28
- Campbell, C.T.¹

13
- 20844435866
- German Patent Nos. co7c45/16 and co7c45/29 (May 1978)
- German Patent Nos. co7c45/16 and co7c45/29 (May 1978); W. L. Dai, Q. Liu, Y. Cao, and J. F. Deng, Appl. Catal., A 0926-860X 10.1016/S0926-860X(98)00203-8 175, 83 (1998); W. L. Dai, Y. Cao, and J. F. Deng, Catal. Lett. 63, 49 (1999).
- (1978)

14
- 0002593891
- 0926-860X 10.1016/S0926-860X(98)00203-8
- German Patent Nos. co7c45/16 and co7c45/29 (May 1978); W. L. Dai, Q. Liu, Y. Cao, and J. F. Deng, Appl. Catal., A 0926-860X 10.1016/S0926-860X(98)00203-8 175, 83 (1998); W. L. Dai, Y. Cao, and J. F. Deng, Catal. Lett. 63, 49 (1999).
- (1998) Appl. Catal., a , vol.175 , pp. 83
- Dai, W.L.¹ Liu, Q.² Cao, Y.³ Deng, J.F.⁴

15
- 0003150787
- German Patent Nos. co7c45/16 and co7c45/29 (May 1978); W. L. Dai, Q. Liu, Y. Cao, and J. F. Deng, Appl. Catal., A 0926-860X 10.1016/S0926-860X(98)00203-8 175, 83 (1998); W. L. Dai, Y. Cao, and J. F. Deng, Catal. Lett. 63, 49 (1999).
- (1999) Catal. Lett. , vol.63 , pp. 49
- Dai, W.L.¹ Cao, Y.² Deng, J.F.³

16
- 33845277969
- 0009-2665
- A. T. Hubbard, Chem. Rev. (Washington, D.C.) 0009-2665 88, 633 (1988); C. Escoffier, P. D. Maguire, and C. Mahony, J. Electrochem. Soc. 0013-4651 10.1149/1.1457989 149, H98 (2002); M. Venekamp and J. Janek, Z. Anorg. Allg. Chem. 629, 1851 (2003).
- (1988) Chem. Rev. (Washington, D.C.) , vol.88 , pp. 633
- Hubbard, A.T.¹

17
- 0036530389
- 0013-4651 10.1149/1.1457989
- A. T. Hubbard, Chem. Rev. (Washington, D.C.) 0009-2665 88, 633 (1988); C. Escoffier, P. D. Maguire, and C. Mahony, J. Electrochem. Soc. 0013-4651 10.1149/1.1457989 149, H98 (2002); M. Venekamp and J. Janek, Z. Anorg. Allg. Chem. 629, 1851 (2003).
- (2002) J. Electrochem. Soc. , vol.149 , pp. 98
- Escoffier, C.¹ Maguire, P.D.² Mahony, C.³

18
- 0141540572
- A. T. Hubbard, Chem. Rev. (Washington, D.C.) 0009-2665 88, 633 (1988); C. Escoffier, P. D. Maguire, and C. Mahony, J. Electrochem. Soc. 0013-4651 10.1149/1.1457989 149, H98 (2002); M. Venekamp and J. Janek, Z. Anorg. Allg. Chem. 629, 1851 (2003).
- (2003) Z. Anorg. Allg. Chem. , vol.629 , pp. 1851
- Venekamp, M.¹ Janek, J.²

19
- 5244225809
- 0022-3654
- J. H. Schott and H. S. White, J. Phys. Chem. 0022-3654 98, 291 (1994); J. H. Schott and H. S. White, Langmuir 0743-7463 10, 486 (1994); W. L. DeSimone and J. J. Breen, Langmuir 0743-7463 11, 4428 (1995); J. Inukai, Y. Osawa, and K. Itaya, J. Phys. Chem. 0022-3654 102, 10034 (1998); W. Kai, D. Z. Wang, J. Z. Deng, X. M. Wei, Y. M. Cao, M. S. Zei, R. S. Zhai, and X. X. Guo, Surf. Sci. 0039-6028 10.1016/0039-6028(92)90182-6 264, 249 (1992); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, Surf. Sci. 0039-6028 365, 278 (1996); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, J. Phys.: Condens. Matter 0953-8984 8, 7699 (1996); M. Maazouz, S. Ustaze, L. Guillemot, and V. A. Esaulov, Surf. Sci. 409, 189 (1998).
- (1994) J. Phys. Chem. , vol.98 , pp. 291
- Schott, J.H.¹ White, H.S.²

20
- 0028381670
- 0743-7463
- J. H. Schott and H. S. White, J. Phys. Chem. 0022-3654 98, 291 (1994); J. H. Schott and H. S. White, Langmuir 0743-7463 10, 486 (1994); W. L. DeSimone and J. J. Breen, Langmuir 0743-7463 11, 4428 (1995); J. Inukai, Y. Osawa, and K. Itaya, J. Phys. Chem. 0022-3654 102, 10034 (1998); W. Kai, D. Z. Wang, J. Z. Deng, X. M. Wei, Y. M. Cao, M. S. Zei, R. S. Zhai, and X. X. Guo, Surf. Sci. 0039-6028 10.1016/0039-6028(92)90182-6 264, 249 (1992); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, Surf. Sci. 0039-6028 365, 278 (1996); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, J. Phys.: Condens. Matter 0953-8984 8, 7699 (1996); M. Maazouz, S. Ustaze, L. Guillemot, and V. A. Esaulov, Surf. Sci. 409, 189 (1998).
- (1994) Langmuir , vol.10 , pp. 486
- Schott, J.H.¹ White, H.S.²

21
- 5344248714
- 0743-7463
- J. H. Schott and H. S. White, J. Phys. Chem. 0022-3654 98, 291 (1994); J. H. Schott and H. S. White, Langmuir 0743-7463 10, 486 (1994); W. L. DeSimone and J. J. Breen, Langmuir 0743-7463 11, 4428 (1995); J. Inukai, Y. Osawa, and K. Itaya, J. Phys. Chem. 0022-3654 102, 10034 (1998); W. Kai, D. Z. Wang, J. Z. Deng, X. M. Wei, Y. M. Cao, M. S. Zei, R. S. Zhai, and X. X. Guo, Surf. Sci. 0039-6028 10.1016/0039-6028(92)90182-6 264, 249 (1992); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, Surf. Sci. 0039-6028 365, 278 (1996); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, J. Phys.: Condens. Matter 0953-8984 8, 7699 (1996); M. Maazouz, S. Ustaze, L. Guillemot, and V. A. Esaulov, Surf. Sci. 409, 189 (1998).
- (1995) Langmuir , vol.11 , pp. 4428
- Desimone, W.L.¹ Breen, J.J.²

22
- 0001482736
- 0022-3654
- J. H. Schott and H. S. White, J. Phys. Chem. 0022-3654 98, 291 (1994); J. H. Schott and H. S. White, Langmuir 0743-7463 10, 486 (1994); W. L. DeSimone and J. J. Breen, Langmuir 0743-7463 11, 4428 (1995); J. Inukai, Y. Osawa, and K. Itaya, J. Phys. Chem. 0022-3654 102, 10034 (1998); W. Kai, D. Z. Wang, J. Z. Deng, X. M. Wei, Y. M. Cao, M. S. Zei, R. S. Zhai, and X. X. Guo, Surf. Sci. 0039-6028 10.1016/0039-6028(92)90182-6 264, 249 (1992); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, Surf. Sci. 0039-6028 365, 278 (1996); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, J. Phys.: Condens. Matter 0953-8984 8, 7699 (1996); M. Maazouz, S. Ustaze, L. Guillemot, and V. A. Esaulov, Surf. Sci. 409, 189 (1998).
- (1998) J. Phys. Chem. , vol.102 , pp. 10034
- Inukai, J.¹ Osawa, Y.² Itaya, K.³

23
- 0026838810
- 0039-6028 10.1016/0039-6028(92)90182-6
- J. H. Schott and H. S. White, J. Phys. Chem. 0022-3654 98, 291 (1994); J. H. Schott and H. S. White, Langmuir 0743-7463 10, 486 (1994); W. L. DeSimone and J. J. Breen, Langmuir 0743-7463 11, 4428 (1995); J. Inukai, Y. Osawa, and K. Itaya, J. Phys. Chem. 0022-3654 102, 10034 (1998); W. Kai, D. Z. Wang, J. Z. Deng, X. M. Wei, Y. M. Cao, M. S. Zei, R. S. Zhai, and X. X. Guo, Surf. Sci. 0039-6028 10.1016/0039-6028(92)90182-6 264, 249 (1992); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, Surf. Sci. 0039-6028 365, 278 (1996); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, J. Phys.: Condens. Matter 0953-8984 8, 7699 (1996); M. Maazouz, S. Ustaze, L. Guillemot, and V. A. Esaulov, Surf. Sci. 409, 189 (1998).
- (1992) Surf. Sci. , vol.264 , pp. 249
- Kai, W.¹ Wang, D.Z.² Deng, J.Z.³ Wei, X.M.⁴ Cao, Y.M.⁵ Zei, M.S.⁶ Zhai, R.S.⁷ Guo, X.X.⁸

24
- 0030241763
- 0039-6028
- J. H. Schott and H. S. White, J. Phys. Chem. 0022-3654 98, 291 (1994); J. H. Schott and H. S. White, Langmuir 0743-7463 10, 486 (1994); W. L. DeSimone and J. J. Breen, Langmuir 0743-7463 11, 4428 (1995); J. Inukai, Y. Osawa, and K. Itaya, J. Phys. Chem. 0022-3654 102, 10034 (1998); W. Kai, D. Z. Wang, J. Z. Deng, X. M. Wei, Y. M. Cao, M. S. Zei, R. S. Zhai, and X. X. Guo, Surf. Sci. 0039-6028 10.1016/0039-6028(92)90182-6 264, 249 (1992); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, Surf. Sci. 0039-6028 365, 278 (1996); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, J. Phys.: Condens. Matter 0953-8984 8, 7699 (1996); M. Maazouz, S. Ustaze, L. Guillemot, and V. A. Esaulov, Surf. Sci. 409, 189 (1998).
- (1996) Surf. Sci. , vol.365 , pp. 278
- Stietz, F.¹ Elbe, A.² Meister, G.³ Schaefer, J.A.⁴ Goldmann, A.⁵

25
- 0030573855
- 0953-8984
- J. H. Schott and H. S. White, J. Phys. Chem. 0022-3654 98, 291 (1994); J. H. Schott and H. S. White, Langmuir 0743-7463 10, 486 (1994); W. L. DeSimone and J. J. Breen, Langmuir 0743-7463 11, 4428 (1995); J. Inukai, Y. Osawa, and K. Itaya, J. Phys. Chem. 0022-3654 102, 10034 (1998); W. Kai, D. Z. Wang, J. Z. Deng, X. M. Wei, Y. M. Cao, M. S. Zei, R. S. Zhai, and X. X. Guo, Surf. Sci. 0039-6028 10.1016/0039-6028(92)90182-6 264, 249 (1992); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, Surf. Sci. 0039-6028 365, 278 (1996); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, J. Phys.: Condens. Matter 0953-8984 8, 7699 (1996); M. Maazouz, S. Ustaze, L. Guillemot, and V. A. Esaulov, Surf. Sci. 409, 189 (1998).
- (1996) J. Phys.: Condens. Matter , vol.8 , pp. 7699
- Stietz, F.¹ Elbe, A.² Meister, G.³ Schaefer, J.A.⁴ Goldmann, A.⁵

26
- 0032115059
- J. H. Schott and H. S. White, J. Phys. Chem. 0022-3654 98, 291 (1994); J. H. Schott and H. S. White, Langmuir 0743-7463 10, 486 (1994); W. L. DeSimone and J. J. Breen, Langmuir 0743-7463 11, 4428 (1995); J. Inukai, Y. Osawa, and K. Itaya, J. Phys. Chem. 0022-3654 102, 10034 (1998); W. Kai, D. Z. Wang, J. Z. Deng, X. M. Wei, Y. M. Cao, M. S. Zei, R. S. Zhai, and X. X. Guo, Surf. Sci. 0039-6028 10.1016/0039-6028(92)90182-6 264, 249 (1992); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, Surf. Sci. 0039-6028 365, 278 (1996); F. Stietz, A. Elbe, G. Meister, J. A. Schaefer, and A. Goldmann, J. Phys.: Condens. Matter 0953-8984 8, 7699 (1996); M. Maazouz, S. Ustaze, L. Guillemot, and V. A. Esaulov, Surf. Sci. 409, 189 (1998).
- (1998) Surf. Sci. , vol.409 , pp. 189
- Maazouz, M.¹ Ustaze, S.² Guillemot, L.³ Esaulov, V.A.⁴

27
- 2442568847
- 0009-2770
- R. Kizek, J. Vacek, L. Trnkova, B. Klejdius, and L. Havel, Chem. Listy 0009-2770 98, 166 (2004); A. F. Wang, Y. Zhou, F. Wu, P. G. He, and Y. Z. Fang, J. Pharm. Biomed. Anal 0731-7085 35, 959 (2004); O. M. Magnussen, Chem. Rev. (Washington, D.C.) 102, 679 (2002).
- (2004) Chem. Listy , vol.98 , pp. 166
- Kizek, R.¹ Vacek, J.² Trnkova, L.³ Klejdius, B.⁴ Havel, L.⁵

28
- 2942514750
- 0731-7085
- R. Kizek, J. Vacek, L. Trnkova, B. Klejdius, and L. Havel, Chem. Listy 0009-2770 98, 166 (2004); A. F. Wang, Y. Zhou, F. Wu, P. G. He, and Y. Z. Fang, J. Pharm. Biomed. Anal 0731-7085 35, 959 (2004); O. M. Magnussen, Chem. Rev. (Washington, D.C.) 102, 679 (2002).
- (2004) J. Pharm. Biomed. Anal , vol.35 , pp. 959
- Wang, A.F.¹ Zhou, Y.² Wu, F.³ He, P.G.⁴ Fang, Y.Z.⁵

29
- 0036523093
- R. Kizek, J. Vacek, L. Trnkova, B. Klejdius, and L. Havel, Chem. Listy 0009-2770 98, 166 (2004); A. F. Wang, Y. Zhou, F. Wu, P. G. He, and Y. Z. Fang, J. Pharm. Biomed. Anal 0731-7085 35, 959 (2004); O. M. Magnussen, Chem. Rev. (Washington, D.C.) 102, 679 (2002).
- (2002) Chem. Rev. (Washington, D.C.) , vol.102 , pp. 679
- Magnussen, O.M.¹

30
- 17144455600
- V. E. Matulis, O. A. Ivashkevich, and V. S. Gurin, J. Mol. Struct.: THEOCHEM 664, 291 (2003).
- (2003) J. Mol. Struct.: THEOCHEM , vol.664 , pp. 291
- Matulis, V.E.¹ Ivashkevich, O.A.² Gurin, V.S.³

31
- 0001758551
- 0021-9606 10.1063/1.464552
- V. Bonačić-Koutecký, L. Češpiva, P. Fantucci, and J. Koutecký, J. Chem. Phys. 0021-9606 10.1063/1.464552 98, 7981 (1993); M. N. Huda and A. K. Ray, Eur. Phys. J. D 1434-6060 22, 217 (2003); M. N. Huda and A. K. Ray, Phys. Rev. A 67, 013201 (2003).
- (1993) J. Chem. Phys. , vol.98 , pp. 7981
- Bonačić-Koutecký, V.¹ Češpiva, L.² Fantucci, P.³ Koutecký, J.⁴

32
- 0037321819
- 1434-6060
- V. Bonačić-Koutecký, L. Češpiva, P. Fantucci, and J. Koutecký, J. Chem. Phys. 0021-9606 10.1063/1.464552 98, 7981 (1993); M. N. Huda and A. K. Ray, Eur. Phys. J. D 1434-6060 22, 217 (2003); M. N. Huda and A. K. Ray, Phys. Rev. A 67, 013201 (2003).
- (2003) Eur. Phys. J. D , vol.22 , pp. 217
- Huda, M.N.¹ Ray, A.K.²

33
- 0037242831
- V. Bonačić-Koutecký, L. Češpiva, P. Fantucci, and J. Koutecký, J. Chem. Phys. 0021-9606 10.1063/1.464552 98, 7981 (1993); M. N. Huda and A. K. Ray, Eur. Phys. J. D 1434-6060 22, 217 (2003); M. N. Huda and A. K. Ray, Phys. Rev. A 67, 013201 (2003).
- (2003) Phys. Rev. a , vol.67 , pp. 013201
- Huda, M.N.¹ Ray, A.K.²

34
- 0000668877
- 0178-7683
- I. Rabin, C. Jackschath, and W. Schulze, Z. Phys. D: At., Mol. Clusters 0178-7683 19, 153 (1991); C. Jackschath, I. Rabin, and W. Schulze, Z. Phys. D: At., Mol. Clusters 0178-7683 22, 517 (1992); K. J. Taylor, C. L. Pettiette-Hall, O. Cheshnovsky, and R. E. Smalley, J. Chem. Phys. 0021-9606 10.1063/1.461927 96, 3319 (1992); H. Handschuh, C.-Y. Chan, P. S. Bechthold, G. Ganteför, and W. Eberhardt, J. Chem. Phys. 102, 6406 (1995).
- (1991) Z. Phys. D: At., Mol. Clusters , vol.19 , pp. 153
- Rabin, I.¹ Jackschath, C.² Schulze, W.³

35
- 33846074404
- 0178-7683
- I. Rabin, C. Jackschath, and W. Schulze, Z. Phys. D: At., Mol. Clusters 0178-7683 19, 153 (1991); C. Jackschath, I. Rabin, and W. Schulze, Z. Phys. D: At., Mol. Clusters 0178-7683 22, 517 (1992); K. J. Taylor, C. L. Pettiette-Hall, O. Cheshnovsky, and R. E. Smalley, J. Chem. Phys. 0021-9606 10.1063/1.461927 96, 3319 (1992); H. Handschuh, C.-Y. Chan, P. S. Bechthold, G. Ganteför, and W. Eberhardt, J. Chem. Phys. 102, 6406 (1995).
- (1992) Z. Phys. D: At., Mol. Clusters , vol.22 , pp. 517
- Jackschath, C.¹ Rabin, I.² Schulze, W.³

36
- 36449000057
- 0021-9606 10.1063/1.461927
- I. Rabin, C. Jackschath, and W. Schulze, Z. Phys. D: At., Mol. Clusters 0178-7683 19, 153 (1991); C. Jackschath, I. Rabin, and W. Schulze, Z. Phys. D: At., Mol. Clusters 0178-7683 22, 517 (1992); K. J. Taylor, C. L. Pettiette-Hall, O. Cheshnovsky, and R. E. Smalley, J. Chem. Phys. 0021-9606 10.1063/1.461927 96, 3319 (1992); H. Handschuh, C.-Y. Chan, P. S. Bechthold, G. Ganteför, and W. Eberhardt, J. Chem. Phys. 102, 6406 (1995).
- (1992) J. Chem. Phys. , vol.96 , pp. 3319
- Taylor, K.J.¹ Pettiette-Hall, C.L.² Cheshnovsky, O.³ Smalley, R.E.⁴

37
- 36448999798
- I. Rabin, C. Jackschath, and W. Schulze, Z. Phys. D: At., Mol. Clusters 0178-7683 19, 153 (1991); C. Jackschath, I. Rabin, and W. Schulze, Z. Phys. D: At., Mol. Clusters 0178-7683 22, 517 (1992); K. J. Taylor, C. L. Pettiette-Hall, O. Cheshnovsky, and R. E. Smalley, J. Chem. Phys. 0021-9606 10.1063/1.461927 96, 3319 (1992); H. Handschuh, C.-Y. Chan, P. S. Bechthold, G. Ganteför, and W. Eberhardt, J. Chem. Phys. 102, 6406 (1995).
- (1995) J. Chem. Phys. , vol.102 , pp. 6406
- Handschuh, H.¹ Chan, C.-Y.² Bechthold, P.S.³ Ganteför, G.⁴ Eberhardt, W.⁵

38
- 0006855798
- S. Krückeberg, G. Dietrich, K. Lützenkirchen, L. Schweikhard, G. Walther, and J. Ziegler, J. Chem. Phys. 110, 7216 (1999).
- (1999) J. Chem. Phys. , vol.110 , pp. 7216
- Krückeberg, S.¹ Dietrich, G.² Lützenkirchen, K.³ Schweikhard, L.⁴ Walther, G.⁵ Ziegler, J.⁶

39
- 0001199102
- V. A. Spasov, T. H. Lee, J. P. Maberry, and K. M. Ervin, J. Chem. Phys. 110, 5208 (1999).
- (1999) J. Chem. Phys. , vol.110 , pp. 5208
- Spasov, V.A.¹ Lee, T.H.² Maberry, J.P.³ Ervin, K.M.⁴

40
- 0037778908
- 0021-9606 10.1063/1.1575738
- M. Schmidt, P. Cahuzac, and C. Bŕchignac, J. Chem. Phys. 0021-9606 10.1063/1.1575738 118, 10956 (2003); M. Schmidt, A. Masson, and C. Bŕchignac, Phys. Rev. Lett. 91, 243401 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 10956
- Schmidt, M.¹ Cahuzac, P.² Bŕchignac, C.³

41
- 0942290005
- M. Schmidt, P. Cahuzac, and C. Bŕchignac, J. Chem. Phys. 0021-9606 10.1063/1.1575738 118, 10956 (2003); M. Schmidt, A. Masson, and C. Bŕchignac, Phys. Rev. Lett. 91, 243401 (2003).
- (2003) Phys. Rev. Lett. , vol.91 , pp. 243401
- Schmidt, M.¹ Masson, A.² Bŕchignac, C.³

42
- 1642321245
- J. Hagen, L. D. Socaciu, J. L. Roux, J. Am. Chem. Soc. 126, 3442 (2004).
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 3442
- Hagen, J.¹ Socaciu, L.D.² Roux, J.L.³

43
- 1442282198
- L. D. Socaciu, J. Hagen, J. L. Roux, D. Popolan, T. M. Bernhardt, L. Wöste, and S. Vajda, J. Chem. Phys. 120, 2078 (2004).
- (2004) J. Chem. Phys. , vol.120 , pp. 2078
- Socaciu, L.D.¹ Hagen, J.² Roux, J.L.³ Popolan, D.⁴ Bernhardt, T.M.⁵ Wöste, L.⁶ Vajda, S.⁷

44
- 0033701966
- 0039-6028 10.1016/S0039-6028(00)00476-3
- B. R. Shen, Z. G. Fang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00476-3 459, 206 (2000); Y. Wang, Q. Sun, K. N. Fan, H. L. Liu, and J. F. Deng, Acta Chim. Acta 58, 931 (2000); H. R. Tang, W. N. Wang, Z. H. Li, W. L. Dai, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00242-9 450, 133 (2000); H. R. Tang, K. N. Fan, and J. F. Deng, Acta Chim. Acta 58, 647 (2000); Y. Wang, Q. Sun, K. N. Fan, and J. F. Deng, Chem. Phys. Lett. 0009-2614 334, 411 (2001); Y. Wang, W. N. Wang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(01)01072-X 487, 77 (2001); H. R. Tang, W. N. Wang, and K. N. Fan, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00252-X 355, 410 (2002); L. L. Jia, Y. Wang, and K. N. Fan, J. Phys. Chem. B 107, 3813 (2003).
- (2000) Surf. Sci. , vol.459 , pp. 206
- Shen, B.R.¹ Fang, Z.G.² Fan, K.N.³ Deng, J.F.⁴

45
- 0041914441
- B. R. Shen, Z. G. Fang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00476-3 459, 206 (2000); Y. Wang, Q. Sun, K. N. Fan, H. L. Liu, and J. F. Deng, Acta Chim. Acta 58, 931 (2000); H. R. Tang, W. N. Wang, Z. H. Li, W. L. Dai, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00242-9 450, 133 (2000); H. R. Tang, K. N. Fan, and J. F. Deng, Acta Chim. Acta 58, 647 (2000); Y. Wang, Q. Sun, K. N. Fan, and J. F. Deng, Chem. Phys. Lett. 0009-2614 334, 411 (2001); Y. Wang, W. N. Wang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(01)01072-X 487, 77 (2001); H. R. Tang, W. N. Wang, and K. N. Fan, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00252-X 355, 410 (2002); L. L. Jia, Y. Wang, and K. N. Fan, J. Phys. Chem. B 107, 3813 (2003).
- (2000) Acta Chim. Acta , vol.58 , pp. 931
- Wang, Y.¹ Sun, Q.² Fan, K.N.³ Liu, H.L.⁴ Deng, J.F.⁵

46
- 0033872341
- 0039-6028 10.1016/S0039-6028(00)00242-9
- B. R. Shen, Z. G. Fang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00476-3 459, 206 (2000); Y. Wang, Q. Sun, K. N. Fan, H. L. Liu, and J. F. Deng, Acta Chim. Acta 58, 931 (2000); H. R. Tang, W. N. Wang, Z. H. Li, W. L. Dai, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00242-9 450, 133 (2000); H. R. Tang, K. N. Fan, and J. F. Deng, Acta Chim. Acta 58, 647 (2000); Y. Wang, Q. Sun, K. N. Fan, and J. F. Deng, Chem. Phys. Lett. 0009-2614 334, 411 (2001); Y. Wang, W. N. Wang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(01)01072-X 487, 77 (2001); H. R. Tang, W. N. Wang, and K. N. Fan, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00252-X 355, 410 (2002); L. L. Jia, Y. Wang, and K. N. Fan, J. Phys. Chem. B 107, 3813 (2003).
- (2000) Surf. Sci. , vol.450 , pp. 133
- Tang, H.R.¹ Wang, W.N.² Li, Z.H.³ Dai, W.L.⁴ Fan, K.N.⁵ Deng, J.F.⁶

47
- 0041779598
- B. R. Shen, Z. G. Fang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00476-3 459, 206 (2000); Y. Wang, Q. Sun, K. N. Fan, H. L. Liu, and J. F. Deng, Acta Chim. Acta 58, 931 (2000); H. R. Tang, W. N. Wang, Z. H. Li, W. L. Dai, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00242-9 450, 133 (2000); H. R. Tang, K. N. Fan, and J. F. Deng, Acta Chim. Acta 58, 647 (2000); Y. Wang, Q. Sun, K. N. Fan, and J. F. Deng, Chem. Phys. Lett. 0009-2614 334, 411 (2001); Y. Wang, W. N. Wang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(01)01072-X 487, 77 (2001); H. R. Tang, W. N. Wang, and K. N. Fan, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00252-X 355, 410 (2002); L. L. Jia, Y. Wang, and K. N. Fan, J. Phys. Chem. B 107, 3813 (2003).
- (2000) Acta Chim. Acta , vol.58 , pp. 647
- Tang, H.R.¹ Fan, K.N.² Deng, J.F.³

48
- 0004668238
- 0009-2614
- B. R. Shen, Z. G. Fang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00476-3 459, 206 (2000); Y. Wang, Q. Sun, K. N. Fan, H. L. Liu, and J. F. Deng, Acta Chim. Acta 58, 931 (2000); H. R. Tang, W. N. Wang, Z. H. Li, W. L. Dai, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00242-9 450, 133 (2000); H. R. Tang, K. N. Fan, and J. F. Deng, Acta Chim. Acta 58, 647 (2000); Y. Wang, Q. Sun, K. N. Fan, and J. F. Deng, Chem. Phys. Lett. 0009-2614 334, 411 (2001); Y. Wang, W. N. Wang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(01)01072-X 487, 77 (2001); H. R. Tang, W. N. Wang, and K. N. Fan, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00252-X 355, 410 (2002); L. L. Jia, Y. Wang, and K. N. Fan, J. Phys. Chem. B 107, 3813 (2003).
- (2001) Chem. Phys. Lett. , vol.334 , pp. 411
- Wang, Y.¹ Sun, Q.² Fan, K.N.³ Deng, J.F.⁴

49
- 0035919905
- 0039-6028 10.1016/S0039-6028(01)01072-X
- B. R. Shen, Z. G. Fang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00476-3 459, 206 (2000); Y. Wang, Q. Sun, K. N. Fan, H. L. Liu, and J. F. Deng, Acta Chim. Acta 58, 931 (2000); H. R. Tang, W. N. Wang, Z. H. Li, W. L. Dai, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00242-9 450, 133 (2000); H. R. Tang, K. N. Fan, and J. F. Deng, Acta Chim. Acta 58, 647 (2000); Y. Wang, Q. Sun, K. N. Fan, and J. F. Deng, Chem. Phys. Lett. 0009-2614 334, 411 (2001); Y. Wang, W. N. Wang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(01)01072-X 487, 77 (2001); H. R. Tang, W. N. Wang, and K. N. Fan, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00252-X 355, 410 (2002); L. L. Jia, Y. Wang, and K. N. Fan, J. Phys. Chem. B 107, 3813 (2003).
- (2001) Surf. Sci. , vol.487 , pp. 77
- Wang, Y.¹ Wang, W.N.² Fan, K.N.³ Deng, J.F.⁴

50
- 0037041604
- 0009-2614 10.1016/S0009-2614(02)00252-X
- B. R. Shen, Z. G. Fang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00476-3 459, 206 (2000); Y. Wang, Q. Sun, K. N. Fan, H. L. Liu, and J. F. Deng, Acta Chim. Acta 58, 931 (2000); H. R. Tang, W. N. Wang, Z. H. Li, W. L. Dai, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00242-9 450, 133 (2000); H. R. Tang, K. N. Fan, and J. F. Deng, Acta Chim. Acta 58, 647 (2000); Y. Wang, Q. Sun, K. N. Fan, and J. F. Deng, Chem. Phys. Lett. 0009-2614 334, 411 (2001); Y. Wang, W. N. Wang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(01)01072-X 487, 77 (2001); H. R. Tang, W. N. Wang, and K. N. Fan, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00252-X 355, 410 (2002); L. L. Jia, Y. Wang, and K. N. Fan, J. Phys. Chem. B 107, 3813 (2003).
- (2002) Chem. Phys. Lett. , vol.355 , pp. 410
- Tang, H.R.¹ Wang, W.N.² Fan, K.N.³

51
- 0141748441
- B. R. Shen, Z. G. Fang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00476-3 459, 206 (2000); Y. Wang, Q. Sun, K. N. Fan, H. L. Liu, and J. F. Deng, Acta Chim. Acta 58, 931 (2000); H. R. Tang, W. N. Wang, Z. H. Li, W. L. Dai, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00242-9 450, 133 (2000); H. R. Tang, K. N. Fan, and J. F. Deng, Acta Chim. Acta 58, 647 (2000); Y. Wang, Q. Sun, K. N. Fan, and J. F. Deng, Chem. Phys. Lett. 0009-2614 334, 411 (2001); Y. Wang, W. N. Wang, K. N. Fan, and J. F. Deng, Surf. Sci. 0039-6028 10.1016/S0039-6028(01)01072-X 487, 77 (2001); H. R. Tang, W. N. Wang, and K. N. Fan, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00252-X 355, 410 (2002); L. L. Jia, Y. Wang, and K. N. Fan, J. Phys. Chem. B 107, 3813 (2003).
- (2003) J. Phys. Chem. B , vol.107 , pp. 3813
- Jia, L.L.¹ Wang, Y.² Fan, K.N.³

52
- 0006039201
- 0022-0728 10.1016/0022-0728(86)90044-6
- F. Illas, J. Robio, J. M. Ricart, and J. A. Garrido, J. Electroanal. Chem. Interfacial Electrochem. 0022-0728 10.1016/0022-0728(86)90044-6 200, 47 (1986); P. S. Bagus and G. Pacchioni, Electrochim. Acta 0013-4686 10.1016/0013-4686(91)85025-3 36, 1669 (1991); M. T. M. Koper and R. A. van Santan, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00919-4 422, 118 (1999); G. Pacchioni, Electrochim. Acta 0013-4686 10.1016/0013-4686(96)00058-8 41, 2285 (1996); A. Ignaczak and J. A. N. F. Gomes, J. Electroanal. Chem. 420, 71 (1997).
- (1986) J. Electroanal. Chem. Interfacial Electrochem. , vol.200 , pp. 47
- Illas, F.¹ Robio, J.² Ricart, J.M.³ Garrido, J.A.⁴

53
- 33744798338
- 0013-4686 10.1016/0013-4686(91)85025-3
- F. Illas, J. Robio, J. M. Ricart, and J. A. Garrido, J. Electroanal. Chem. Interfacial Electrochem. 0022-0728 10.1016/0022-0728(86)90044-6 200, 47 (1986); P. S. Bagus and G. Pacchioni, Electrochim. Acta 0013-4686 10.1016/0013-4686(91)85025-3 36, 1669 (1991); M. T. M. Koper and R. A. van Santan, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00919-4 422, 118 (1999); G. Pacchioni, Electrochim. Acta 0013-4686 10.1016/0013-4686(96)00058-8 41, 2285 (1996); A. Ignaczak and J. A. N. F. Gomes, J. Electroanal. Chem. 420, 71 (1997).
- (1991) Electrochim. Acta , vol.36 , pp. 1669
- Bagus, P.S.¹ Pacchioni, G.²

54
- 0033077093
- 0039-6028 10.1016/S0039-6028(98)00919-4
- F. Illas, J. Robio, J. M. Ricart, and J. A. Garrido, J. Electroanal. Chem. Interfacial Electrochem. 0022-0728 10.1016/0022-0728(86)90044-6 200, 47 (1986); P. S. Bagus and G. Pacchioni, Electrochim. Acta 0013-4686 10.1016/0013-4686(91)85025-3 36, 1669 (1991); M. T. M. Koper and R. A. van Santan, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00919-4 422, 118 (1999); G. Pacchioni, Electrochim. Acta 0013-4686 10.1016/0013-4686(96)00058-8 41, 2285 (1996); A. Ignaczak and J. A. N. F. Gomes, J. Electroanal. Chem. 420, 71 (1997).
- (1999) Surf. Sci. , vol.422 , pp. 118
- Koper, M.T.M.¹ Van Santan, R.A.²

55
- 0030190528
- 0013-4686 10.1016/0013-4686(96)00058-8
- F. Illas, J. Robio, J. M. Ricart, and J. A. Garrido, J. Electroanal. Chem. Interfacial Electrochem. 0022-0728 10.1016/0022-0728(86)90044-6 200, 47 (1986); P. S. Bagus and G. Pacchioni, Electrochim. Acta 0013-4686 10.1016/0013-4686(91)85025-3 36, 1669 (1991); M. T. M. Koper and R. A. van Santan, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00919-4 422, 118 (1999); G. Pacchioni, Electrochim. Acta 0013-4686 10.1016/0013-4686(96)00058-8 41, 2285 (1996); A. Ignaczak and J. A. N. F. Gomes, J. Electroanal. Chem. 420, 71 (1997).
- (1996) Electrochim. Acta , vol.41 , pp. 2285
- Pacchioni, G.¹

56
- 0030649752
- F. Illas, J. Robio, J. M. Ricart, and J. A. Garrido, J. Electroanal. Chem. Interfacial Electrochem. 0022-0728 10.1016/0022-0728(86)90044-6 200, 47 (1986); P. S. Bagus and G. Pacchioni, Electrochim. Acta 0013-4686 10.1016/0013-4686(91)85025-3 36, 1669 (1991); M. T. M. Koper and R. A. van Santan, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00919-4 422, 118 (1999); G. Pacchioni, Electrochim. Acta 0013-4686 10.1016/0013-4686(96)00058-8 41, 2285 (1996); A. Ignaczak and J. A. N. F. Gomes, J. Electroanal. Chem. 420, 71 (1997).
- (1997) J. Electroanal. Chem. , vol.420 , pp. 71
- Ignaczak, A.¹ Gomes, J.A.N.F.²

57
- 0000189651
- A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

58
- 0345491105
- 0163-1829 10.1103/PhysRevB.37.785
- C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988); B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

59
- 0038596731
- C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988); B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
- (1989) Chem. Phys. Lett. , vol.157 , pp. 200
- Miehlich, B.¹ Savin, A.² Stoll, H.³ Preuss, H.⁴

60
- 4243553426
- A. D. Becke, Phys. Rev. A 38, 3098 (1988).
- (1988) Phys. Rev. a , vol.38 , pp. 3098
- Becke, A.D.¹

61
- 0000455283
- 0026-8976 10.1080/002689796173813
- P. M. W. Gill, Mol. Phys. 0026-8976 10.1080/002689796173813 89, 433 (1996); C. Adamo and V. Barone, J. Comput. Chem. 19, 419 (1998).
- (1996) Mol. Phys. , vol.89 , pp. 433
- Gill, P.M.W.¹

62
- 0001142664
- P. M. W. Gill, Mol. Phys. 0026-8976 10.1080/002689796173813 89, 433 (1996); C. Adamo and V. Barone, J. Comput. Chem. 19, 419 (1998).
- (1998) J. Comput. Chem. , vol.19 , pp. 419
- Adamo, C.¹ Barone, V.²

63
- 20844440100
- Z. Shuang, Z. H. Li, and K. N. Fan (unpublished).
- Shuang, Z.¹ Li, Z.H.² Fan, K.N.³

64
- 23244460838
- 0163-1829 10.1103/PhysRevB.46.6671
- J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 0163-1829 10.1103/PhysRevB.46.6671 46, 6671 (1992); J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B 54, 16533 (1996).
- (1992) Phys. Rev. B , vol.46 , pp. 6671
- Perdew, J.P.¹ Chevary, J.A.² Vosko, S.H.³ Jackson, K.A.⁴ Pederson, M.R.⁵ Singh, D.J.⁶ Fiolhais, C.⁷

65
- 2842565972
- J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 0163-1829 10.1103/PhysRevB.46.6671 46, 6671 (1992); J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B 54, 16533 (1996).
- (1996) Phys. Rev. B , vol.54 , pp. 16533
- Perdew, J.P.¹ Burke, K.² Wang, Y.³

66
- 33745770836
- 0021-9606 10.1063/1.448799
- P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. R. Wadt and P. J. Hay, J. Chem. Phys. 0021-9606 10.1063/1.448800 82, 284 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
- (1985) J. Chem. Phys. , vol.82 , pp. 270
- Hay, P.J.¹ Wadt, W.R.²

67
- 0006073669
- 0021-9606 10.1063/1.448800
- P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. R. Wadt and P. J. Hay, J. Chem. Phys. 0021-9606 10.1063/1.448800 82, 284 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
- (1985) J. Chem. Phys. , vol.82 , pp. 284
- Wadt, W.R.¹ Hay, P.J.²

68
- 27344448074
- P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. R. Wadt and P. J. Hay, J. Chem. Phys. 0021-9606 10.1063/1.448800 82, 284 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
- (1985) J. Chem. Phys. , vol.82 , pp. 299
- Hay, P.J.¹ Wadt, W.R.²

69
- 20844462477
- Gaussian, Inc., Pittsburgh, PA
- M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision B.03, Gaussian, Inc., Pittsburgh, PA, 2003.
- (2003)
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

70
- 36749120696
- 0021-9606 10.1063/1.434318
- R. Seeger and J. A. Pople, J. Chem. Phys. 0021-9606 10.1063/1.434318 66, 3045 (1977); R. Bauernschmitt and R. Ahlrichs, GAUSSIAN 03, Revision B.03 Gaussian, Inc., Pittsburgh, PA, 2003; R. Seeger and J. A. Pople, J. Chem. Phys. 0021-9606 10.1063/1.434318 66, 3045 (1977); R. Bauernschmitt and R. Ahlrichs, J. Chem. Phys. 104, 9047 (1996).
- (1977) J. Chem. Phys. , vol.66 , pp. 3045
- Seeger, R.¹ Pople, J.A.²

71
- 20844454657
- Gaussian, Inc., Pittsburgh, PA
- R. Seeger and J. A. Pople, J. Chem. Phys. 0021-9606 10.1063/1.434318 66, 3045 (1977); R. Bauernschmitt and R. Ahlrichs, GAUSSIAN 03, Revision B.03 Gaussian, Inc., Pittsburgh, PA, 2003; R. Seeger and J. A. Pople, J. Chem. Phys. 0021-9606 10.1063/1.434318 66, 3045 (1977); R. Bauernschmitt and R. Ahlrichs, J. Chem. Phys. 104, 9047 (1996).
- (2003)
- Bauernschmitt, R.¹ Ahlrichs, R.²

72
- 36749120696
- 0021-9606 10.1063/1.434318
- R. Seeger and J. A. Pople, J. Chem. Phys. 0021-9606 10.1063/1.434318 66, 3045 (1977); R. Bauernschmitt and R. Ahlrichs, GAUSSIAN 03, Revision B.03 Gaussian, Inc., Pittsburgh, PA, 2003; R. Seeger and J. A. Pople, J. Chem. Phys. 0021-9606 10.1063/1.434318 66, 3045 (1977); R. Bauernschmitt and R. Ahlrichs, J. Chem. Phys. 104, 9047 (1996).
- (1977) J. Chem. Phys. , vol.66 , pp. 3045
- Seeger, R.¹ Pople, J.A.²

73
- 0001122358
- R. Seeger and J. A. Pople, J. Chem. Phys. 0021-9606 10.1063/1.434318 66, 3045 (1977); R. Bauernschmitt and R. Ahlrichs, GAUSSIAN 03, Revision B.03 Gaussian, Inc., Pittsburgh, PA, 2003; R. Seeger and J. A. Pople, J. Chem. Phys. 0021-9606 10.1063/1.434318 66, 3045 (1977); R. Bauernschmitt and R. Ahlrichs, J. Chem. Phys. 104, 9047 (1996).
- (1996) J. Chem. Phys. , vol.104 , pp. 9047
- Bauernschmitt, R.¹ Ahlrichs, R.²

74
- 5244225809
- J. H. Schott and H. S. White, J. Phys. Chem. 98, 291 (1994).
- (1994) J. Phys. Chem. , vol.98 , pp. 291
- Schott, J.H.¹ White, H.S.²

75
- 0034888986
- K. Doll and N. M. Harrsion, Phys. Rev. B 63, 165410 (2001).
- (2001) Phys. Rev. B , vol.63 , pp. 165410
- Doll, K.¹ Harrsion, N.M.²

76
- 33744614883
- J. P. Foster and F. Weinhold, J. Am. Chem. Soc. 102, 7211 (1980).
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 7211
- Foster, J.P.¹ Weinhold, F.²

77
- 36749116113
- 0021-9606 10.1063/1.445134
- A. E. Reed and F. Weinhold, J. Chem. Phys. 0021-9606 10.1063/1.445134 78, 4066 (1983); A. E. Reed, R. B. Weinstock, and F. Weinhold, J. Chem. Phys. 83, 735 (1985).
- (1983) J. Chem. Phys. , vol.78 , pp. 4066
- Reed, A.E.¹ Weinhold, F.²

78
- 36148995600
- A. E. Reed and F. Weinhold, J. Chem. Phys. 0021-9606 10.1063/1.445134 78, 4066 (1983); A. E. Reed, R. B. Weinstock, and F. Weinhold, J. Chem. Phys. 83, 735 (1985).
- (1985) J. Chem. Phys. , vol.83 , pp. 735
- Reed, A.E.¹ Weinstock, R.B.² Weinhold, F.³

79
- 84856131303
- for the natural bond orbital (NBO) population analyses of the other sized clusters. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage
- See EPAPS Document No. E-JCPSA6-122-701515 for the natural bond orbital (NBO) population analyses of the other sized clusters. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/ pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
- EPAPS Document No. E-JCPSA6-122-701515 , vol.E-JCPSA6-122-701515

80
- 0027540555
- V. Beutel, H.-G. Krämer, G. L. Bhale, M. Kuhn, K. Weyers, and W. Demtröder, J. Chem. Phys. 98, 2699 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 2699
- Beutel, V.¹ Krämer, H.-G.² Bhale, G.L.³ Kuhn, M.⁴ Weyers, K.⁵ Demtröder, W.⁶

81
- 0003588966
- Van Nostrand, Toronto
- K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure, Constants of Diatomic Molecules (Van Nostrand, Toronto, 1979), Vol. IV.
- (1979) Molecular Spectra and Molecular Structure, Constants of Diatomic Molecules , vol.4
- Huber, K.P.¹ Herzberg, G.²

82
- 0005463563
- J. Ho, K. M. Ervin, and W. C. Linebeger, J. Chem. Phys. 93, 6987 (1990).
- (1990) J. Chem. Phys. , vol.93 , pp. 6987
- Ho, J.¹ Ervin, K.M.² Linebeger, W.C.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.