SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 122, Issue 19, 2005, Pages

Mechanisms of H2 dissociative adsorption on the Pt(211) stepped surface

(3) McCormack, Drew A a Olsen, Roar A b Baerends, Evert Jan a

a VU UNIVERSITY AMSTERDAM (Netherlands)

b LEIDEN UNIVERSITY (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMISORPTION; DISSOCIATION; HYDROGEN; INTERPOLATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; SURFACE PROPERTIES;

COLLISION ENERGY; DISSOCIATIVE ADSORPTION; HYDROGEN REACTION; REACTION DYNAMICS;

PLATINUM COMPOUNDS;

EID: 21444449366 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1900087 Document Type: Article

Times cited : (60)

References (100)

1
- 21844527605
- J. T. Yates, J. Vac. Sci. Technol. A 0734-2101 10.1116/1.579564 13, 1359 (1995); C. R. Henry, Surf. Sci. Rep. 0167-5729 10.1016/S0167-5729(98)00002-8 31, 235 (1998); T. Zambelli, J. Wintterlin, J. Trost, and G. Ertl, Science 0036-8075 10.1126/science.274.5293.1688 273, 1688 (1996); B. E. Nieuwenhuys, Adv. Catal. 0065-2342 44, 259 (2000); G. A. Somorjai, J. Phys. Chem. B 106, 9201 (2002).
- (1995) J. Vac. Sci. Technol. A , vol.13 , pp. 1359
- Yates, J.T.¹

2
- 0031643747
- J. T. Yates, J. Vac. Sci. Technol. A 0734-2101 10.1116/1.579564 13, 1359 (1995); C. R. Henry, Surf. Sci. Rep. 0167-5729 10.1016/S0167-5729(98)00002-8 31, 235 (1998); T. Zambelli, J. Wintterlin, J. Trost, and G. Ertl, Science 0036-8075 10.1126/science.274.5293.1688 273, 1688 (1996); B. E. Nieuwenhuys, Adv. Catal. 0065-2342 44, 259 (2000); G. A. Somorjai, J. Phys. Chem. B 106, 9201 (2002).
- (1998) Surf. Sci. Rep. , vol.31 , pp. 235
- Henry, C.R.¹

3
- 0029820626
- J. T. Yates, J. Vac. Sci. Technol. A 0734-2101 10.1116/1.579564 13, 1359 (1995); C. R. Henry, Surf. Sci. Rep. 0167-5729 10.1016/S0167-5729(98)00002-8 31, 235 (1998); T. Zambelli, J. Wintterlin, J. Trost, and G. Ertl, Science 0036-8075 10.1126/science.274.5293.1688 273, 1688 (1996); B. E. Nieuwenhuys, Adv. Catal. 0065-2342 44, 259 (2000); G. A. Somorjai, J. Phys. Chem. B 106, 9201 (2002).
- (1996) Science , vol.273 , pp. 1688
- Zambelli, T.¹ Wintterlin, J.² Trost, J.³ Ertl, G.⁴

4
- 0001311727
- J. T. Yates, J. Vac. Sci. Technol. A 0734-2101 10.1116/1.579564 13, 1359 (1995); C. R. Henry, Surf. Sci. Rep. 0167-5729 10.1016/S0167-5729(98)00002-8 31, 235 (1998); T. Zambelli, J. Wintterlin, J. Trost, and G. Ertl, Science 0036-8075 10.1126/science.274.5293.1688 273, 1688 (1996); B. E. Nieuwenhuys, Adv. Catal. 0065-2342 44, 259 (2000); G. A. Somorjai, J. Phys. Chem. B 106, 9201 (2002).
- (2000) Adv. Catal. , vol.44 , pp. 259
- Nieuwenhuys, B.E.¹

5
- 0037068422
- J. T. Yates, J. Vac. Sci. Technol. A 0734-2101 10.1116/1.579564 13, 1359 (1995); C. R. Henry, Surf. Sci. Rep. 0167-5729 10.1016/S0167-5729(98)00002-8 31, 235 (1998); T. Zambelli, J. Wintterlin, J. Trost, and G. Ertl, Science 0036-8075 10.1126/science.274.5293.1688 273, 1688 (1996); B. E. Nieuwenhuys, Adv. Catal. 0065-2342 44, 259 (2000); G. A. Somorjai, J. Phys. Chem. B 106, 9201 (2002).
- (2002) J. Phys. Chem. B , vol.106 , pp. 9201
- Somorjai, G.A.¹

6
- 36749117607
- S. L. Bernasek and G. A. Somorjai, J. Chem. Phys. 62, 3149 (1975).
- (1975) J. Chem. Phys. , vol.62 , pp. 3149
- Bernasek, S.L.¹ Somorjai, G.A.²

7
- 0001382083
- I. E. Wachs and R. J. Madix, Surf. Sci. 0039-6028 10.1016/0039-6028(76) 90494-5 58, 590 (1976); K. Christmann and G. Ertl, Surf. Sci. 60, 365 (1976).
- (1976) Surf. Sci. , vol.58 , pp. 590
- Wachs, I.E.¹ Madix, R.J.²

8
- 25544446522
- I. E. Wachs and R. J. Madix, Surf. Sci. 0039-6028 10.1016/0039-6028(76) 90494-5 58, 590 (1976); K. Christmann and G. Ertl, Surf. Sci. 60, 365 (1976).
- (1976) Surf. Sci. , vol.60 , pp. 365
- Christmann, K.¹ Ertl, G.²

9
- 0034505369
- A. T. Gee and B. E. Hayden, J. Chem. Phys. 0021-9606 10.1063/1.1323229 113, 10333 (2000); A. T. Gee, B. E. Hayden, C. Mormiche, A. W. Kleyn, and B. Riedmuller, J. Chem. Phys. 118, 3334 (2003).
- (2000) J. Chem. Phys. , vol.113 , pp. 10333
- Gee, A.T.¹ Hayden, B.E.²

10
- 0037440806
- A. T. Gee and B. E. Hayden, J. Chem. Phys. 0021-9606 10.1063/1.1323229 113, 10333 (2000); A. T. Gee, B. E. Hayden, C. Mormiche, A. W. Kleyn, and B. Riedmuller, J. Chem. Phys. 118, 3334 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 3334
- Gee, A.T.¹ Hayden, B.E.² Mormiche, C.³ Kleyn, A.W.⁴ Riedmuller, B.⁵

11
- 0000170227
- A. T. Gee, B. E. Hayden, C. Mormiche, and T. S. Nunney, J. Chem. Phys. 112, 7660 (2000).
- (2000) J. Chem. Phys. , vol.112 , pp. 7660
- Gee, A.T.¹ Hayden, B.E.² Mormiche, C.³ Nunney, T.S.⁴

12
- 0036643590
- A. T. Gee, B. E. Hayden, C. Mormiche, and T. S. Nunney, Surf. Sci. 512, 165 (2002).
- (2002) Surf. Sci. , vol.512 , pp. 165
- Gee, A.T.¹ Hayden, B.E.² Mormiche, C.³ Nunney, T.S.⁴

13
- 0036208522
- G. J. Kroes, A. Gross, E. J. Baerends, M. Scheffler, and D. A. McCormack, Acc. Chem. Res. 35, 193 (2002).
- (2002) Acc. Chem. Res. , vol.35 , pp. 193
- Kroes, G.J.¹ Gross, A.² Baerends, E.J.³ Scheffler, M.⁴ McCormack, D.A.⁵

14
- 10644250257
- P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
- (1964) Phys. Rev. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

15
- 0042113153
- P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

16
- 0001383507
- P. H. T. Philipsen, G. Tevelde, and E. J. Baerends, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(94)00735-7 226, 583 (1994); B. Hammer, M. Scheffler, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1400 73, 1400 (1994); J. A. White, D. M. Bird, M. C. Payne, and I. Stich, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1404 73, 1404 (1994); G. Wiesenekker, G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 0021-9606 10.1063/1.468547 102, 3873 (1995); S. Wilke and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(95)00355-X 329, L605 (1995); A. Eichler, G. Kresse, and J. Hafner, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.1119 77, 1119 (1996); W. Dong and J. Hafner, Phys. Rev. B 56, 15396 (1997).
- (1994) Chem. Phys. Lett. , vol.226 , pp. 583
- Philipsen, P.H.T.¹ Tevelde, G.² Baerends, E.J.³

17
- 3342969904
- P. H. T. Philipsen, G. Tevelde, and E. J. Baerends, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(94)00735-7 226, 583 (1994); B. Hammer, M. Scheffler, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1400 73, 1400 (1994); J. A. White, D. M. Bird, M. C. Payne, and I. Stich, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1404 73, 1404 (1994); G. Wiesenekker, G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 0021-9606 10.1063/1.468547 102, 3873 (1995); S. Wilke and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(95)00355-X 329, L605 (1995); A. Eichler, G. Kresse, and J. Hafner, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.1119 77, 1119 (1996); W. Dong and J. Hafner, Phys. Rev. B 56, 15396 (1997).
- (1994) Phys. Rev. Lett. , vol.73 , pp. 1400
- Hammer, B.¹ Scheffler, M.² Jacobsen, K.W.³ Nørskov, J.K.⁴

18
- 3342950640
- P. H. T. Philipsen, G. Tevelde, and E. J. Baerends, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(94)00735-7 226, 583 (1994); B. Hammer, M. Scheffler, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1400 73, 1400 (1994); J. A. White, D. M. Bird, M. C. Payne, and I. Stich, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1404 73, 1404 (1994); G. Wiesenekker, G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 0021-9606 10.1063/1.468547 102, 3873 (1995); S. Wilke and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(95)00355-X 329, L605 (1995); A. Eichler, G. Kresse, and J. Hafner, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.1119 77, 1119 (1996); W. Dong and J. Hafner, Phys. Rev. B 56, 15396 (1997).
- (1994) Phys. Rev. Lett. , vol.73 , pp. 1404
- White, J.A.¹ Bird, D.M.² Payne, M.C.³ Stich, I.⁴

19
- 0000805870
- P. H. T. Philipsen, G. Tevelde, and E. J. Baerends, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(94)00735-7 226, 583 (1994); B. Hammer, M. Scheffler, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1400 73, 1400 (1994); J. A. White, D. M. Bird, M. C. Payne, and I. Stich, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1404 73, 1404 (1994); G. Wiesenekker, G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 0021-9606 10.1063/1.468547 102, 3873 (1995); S. Wilke and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(95)00355-X 329, L605 (1995); A. Eichler, G. Kresse, and J. Hafner, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.1119 77, 1119 (1996); W. Dong and J. Hafner, Phys. Rev. B 56, 15396 (1997).
- (1995) J. Chem. Phys. , vol.102 , pp. 3873
- Wiesenekker, G.¹ Kroes, G.J.² Baerends, E.J.³ Mowrey, R.C.⁴

20
- 0001724111
- P. H. T. Philipsen, G. Tevelde, and E. J. Baerends, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(94)00735-7 226, 583 (1994); B. Hammer, M. Scheffler, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1400 73, 1400 (1994); J. A. White, D. M. Bird, M. C. Payne, and I. Stich, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1404 73, 1404 (1994); G. Wiesenekker, G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 0021-9606 10.1063/1.468547 102, 3873 (1995); S. Wilke and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(95)00355-X 329, L605 (1995); A. Eichler, G. Kresse, and J. Hafner, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.1119 77, 1119 (1996); W. Dong and J. Hafner, Phys. Rev. B 56, 15396 (1997).
- (1995) Surf. Sci. , vol.329 , pp. 605
- Wilke, S.¹ Scheffler, M.²

21
- 4243726779
- P. H. T. Philipsen, G. Tevelde, and E. J. Baerends, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(94)00735-7 226, 583 (1994); B. Hammer, M. Scheffler, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1400 73, 1400 (1994); J. A. White, D. M. Bird, M. C. Payne, and I. Stich, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1404 73, 1404 (1994); G. Wiesenekker, G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 0021-9606 10.1063/1.468547 102, 3873 (1995); S. Wilke and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(95)00355-X 329, L605 (1995); A. Eichler, G. Kresse, and J. Hafner, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.1119 77, 1119 (1996); W. Dong and J. Hafner, Phys. Rev. B 56, 15396 (1997).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 1119
- Eichler, A.¹ Kresse, G.² Hafner, J.³

22
- 0000712328
- P. H. T. Philipsen, G. Tevelde, and E. J. Baerends, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(94)00735-7 226, 583 (1994); B. Hammer, M. Scheffler, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1400 73, 1400 (1994); J. A. White, D. M. Bird, M. C. Payne, and I. Stich, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.73.1404 73, 1404 (1994); G. Wiesenekker, G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 0021-9606 10.1063/1.468547 102, 3873 (1995); S. Wilke and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(95)00355-X 329, L605 (1995); A. Eichler, G. Kresse, and J. Hafner, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.1119 77, 1119 (1996); W. Dong and J. Hafner, Phys. Rev. B 56, 15396 (1997).
- (1997) Phys. Rev. B , vol.56 , pp. 15396
- Dong, W.¹ Hafner, J.²

23
- 0343733987
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1995) Phys. Rev. Lett. , vol.75 , pp. 2718
- Gross, A.¹ Wilke, S.² Scheffler, M.³

24
- 33744615985
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 405
- Gross, A.¹ Scheffler, M.²

25
- 0030165498
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1996) Surf. Sci. , vol.358 , pp. 614
- Gross, A.¹ Wilke, S.² Scheffler, M.³

26
- 0030257726
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1996) Prog. Surf. Sci. , vol.53 , pp. 187
- Gross, A.¹ Scheffler, M.²

27
- 0030206165
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1996) Surf. Sci. , vol.363 , pp. 1
- Gross, A.¹

28
- 0000671263
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1998) Phys. Rev. B , vol.57 , pp. 2493
- Gross, A.¹ Scheffler, M.²

29
- 0032179452
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1998) Surf. Sci. , vol.416 , pp. 1095
- Gross, A.¹ Wei, C.M.² Scheffler, M.³

30
- 0032299682
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1998) Appl. Phys. A: Mater. Sci. Process. , vol.67 , pp. 627
- Gross, A.¹

31
- 0000750192
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1995) Chem. Phys. Lett. , vol.245 , pp. 311
- Kay, M.¹ Darling, G.R.² Holloway, S.³ White, J.A.⁴ Bird, D.M.⁵

32
- 0032022389
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1998) Surf. Sci. , vol.400 , pp. 314
- Darling, G.R.¹ Kay, M.² Holloway, S.³

33
- 0000259030
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1998) J. Chem. Phys. , vol.108 , pp. 4614
- Kay, M.¹ Darling, G.R.² Holloway, S.³

34
- 0038526402
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (2003) Surf. Sci. , vol.532 , pp. 198
- Corriol, C.¹ Darling, G.R.² Holloway, S.³

35
- 0344515505
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (2003) Chem. Phys. Lett. , vol.382 , pp. 605
- Savio, L.¹ Vattuone, L.² Rocca, L.³ Corriol, C.⁴ Darling, G.R.⁵ Holloway, S.⁶

36
- 0001665972
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (1995) Chem. Phys. Lett. , vol.247 , pp. 249
- Beutl, M.¹ Riedler, M.² Rendulic, K.D.³

37
- 0033903669
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (2000) Surf. Sci. , vol.447 , pp. 245
- Beutl, M.¹ Lesnik, J.² Lundgren, E.³ Konvicka, C.⁴ Varga, P.⁵ Rendulic, K.D.⁶

38
- 0001485860
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (2001) Chem. Phys. Lett. , vol.342 , pp. 473
- Beutl, M.¹ Lesnik, J.² Rendulic, K.D.³ Hirschl, R.⁴ Eichler, A.⁵ Kresse, G.⁶ Hafner, J.⁷

39
- 0042661106
- A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.75.2718 75, 2718 (1995); A. Gross and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.405 77, 405 (1996); A. Gross, S. Wilke, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00232-4 358, 614 (1996); A. Gross and M. Scheffler, Prog. Surf. Sci. 0079-6816 10.1016/S0079-6816(96)00016-0 53, 187 (1996); A. Gross, Surf. Sci. 0039-6028 10.1016/0039-6028(96)00070-2 363, 1 (1996); A. Gross and M. Scheffler, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2493 57, 2493 (1998); A. Gross, C. M. Wei, and M. Scheffler, Surf. Sci. 0039-6028 10.1016/S0039-6028(98)00649-9 416, L1095 (1998); A. Gross, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s003390050834 67, 627 (1998); M. Kay, G. R. Darling, S. Holloway, J. A. White, and D. M. Bird, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)00975-A 245, 311 (1995); G. R. Darling, M. Kay, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00887-X 400, 314 (1998); M. Kay, G. R. Darling, and S. Holloway, J. Chem. Phys. 0021-9606 10.1063/1.475872 108, 4614 (1998); C. Corriol, G. R. Darling, and S. Holloway, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00120-1 532, 198 (2003); L. Savio, L. Vattuone, L. Rocca, C. Corriol, G. R. Darling, and S. Holloway, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2003.10.100 382, 605 (2003); M. Beutl, M. Riedler, and K. D. Rendulic, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(95)01208-5 247, 249 (1995); M. Beutl, J. Lesnik, E. Lundgren, C. Konvicka, P. Varga, and K. D. Rendulic, Surf. Sci. 0039-6028 10.1016/S0039-6028(99)01200-5 447, 245 (2000); M. Beutl, J. Lesnik, K. D. Rendulic, R. Hirschl, A. Eichler, G. Kresse, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00621-2 342, 473 (2001); R. Schennach, G. Krenn, B. Klotzer, and K. D. Rendulic, Surf. Sci. 540, 237 (2003).
- (2003) Surf. Sci. , vol.540 , pp. 237
- Schennach, R.¹ Krenn, G.² Klotzer, B.³ Rendulic, K.D.⁴

40
- 26444468175
- A. Gross, J. Chem. Phys. 110, 8696 (1999).
- (1999) J. Chem. Phys. , vol.110 , pp. 8696
- Gross, A.¹

41
- 0000601910
- H. F. Busnengo, W. Dong, and A. Salin, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(00)00239-6 320, 328 (2000); C. Crespos, H. F. Busnengo, W. Dong, and A. Salin, J. Chem. Phys. 0021-9606 10.1063/1.1375153 114, 10954 (2001); H. F. Busnengo, E. Pijper, M. F. Somers, G. J. Kroes, A. Salin, R. A. Olsen, D. Lemoine, and W. Dong, Chem. Phys. Lett. 0009-2614 10.1016/S0009- 2614(02)00404-9 356, 515 (2002); C. Diaz, F. Martin, H. F. Busnengo, and A. Salin, J. Chem. Phys. 120, 321 (2004).
- (2000) Chem. Phys. Lett. , vol.320 , pp. 328
- Busnengo, H.F.¹ Dong, W.² Salin, A.³

42
- 0035933425
- H. F. Busnengo, W. Dong, and A. Salin, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(00)00239-6 320, 328 (2000); C. Crespos, H. F. Busnengo, W. Dong, and A. Salin, J. Chem. Phys. 0021-9606 10.1063/1.1375153 114, 10954 (2001); H. F. Busnengo, E. Pijper, M. F. Somers, G. J. Kroes, A. Salin, R. A. Olsen, D. Lemoine, and W. Dong, Chem. Phys. Lett. 0009-2614 10.1016/S0009- 2614(02)00404-9 356, 515 (2002); C. Diaz, F. Martin, H. F. Busnengo, and A. Salin, J. Chem. Phys. 120, 321 (2004).
- (2001) J. Chem. Phys. , vol.114 , pp. 10954
- Crespos, C.¹ Busnengo, H.F.² Dong, W.³ Salin, A.⁴

43
- 0037177558
- H. F. Busnengo, W. Dong, and A. Salin, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(00)00239-6 320, 328 (2000); C. Crespos, H. F. Busnengo, W. Dong, and A. Salin, J. Chem. Phys. 0021-9606 10.1063/1.1375153 114, 10954 (2001); H. F. Busnengo, E. Pijper, M. F. Somers, G. J. Kroes, A. Salin, R. A. Olsen, D. Lemoine, and W. Dong, Chem. Phys. Lett. 0009-2614 10.1016/S0009- 2614(02)00404-9 356, 515 (2002); C. Diaz, F. Martin, H. F. Busnengo, and A. Salin, J. Chem. Phys. 120, 321 (2004).
- (2002) Chem. Phys. Lett. , vol.356 , pp. 515
- Busnengo, H.F.¹ Pijper, E.² Somers, M.F.³ Kroes, G.J.⁴ Salin, A.⁵ Olsen, R.A.⁶ Lemoine, D.⁷ Dong, W.⁸

44
- 0942299421
- H. F. Busnengo, W. Dong, and A. Salin, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(00)00239-6 320, 328 (2000); C. Crespos, H. F. Busnengo, W. Dong, and A. Salin, J. Chem. Phys. 0021-9606 10.1063/1.1375153 114, 10954 (2001); H. F. Busnengo, E. Pijper, M. F. Somers, G. J. Kroes, A. Salin, R. A. Olsen, D. Lemoine, and W. Dong, Chem. Phys. Lett. 0009-2614 10.1016/S0009- 2614(02)00404-9 356, 515 (2002); C. Diaz, F. Martin, H. F. Busnengo, and A. Salin, J. Chem. Phys. 120, 321 (2004).
- (2004) J. Chem. Phys. , vol.120 , pp. 321
- Diaz, C.¹ Martin, F.² Busnengo, H.F.³ Salin, A.⁴

45
- 0035131094
- H. F. Busnengo, C. Crespos, W. Dong, A. Salin, and J. C. Rayez, Phys. Rev. B 63, 041402 (2001).
- (2001) Phys. Rev. B , vol.63 , pp. 041402
- Busnengo, H.F.¹ Crespos, C.² Dong, W.³ Salin, A.⁴ Rayez, J.C.⁵

46
- 39249085446
- H. F. Busnengo, W. Dong, P. Sautet, and A. Salin, Phys. Rev. Lett. 8712, 127601 (2001).
- (2001) Phys. Rev. Lett. , vol.8712 , pp. 127601
- Busnengo, H.F.¹ Dong, W.² Sautet, P.³ Salin, A.⁴

47
- 0037157334
- H. F. Busnengo, C. Crespos, W. Dong, J. C. Rayez, and A. Salin, J. Chem. Phys. 116, 9005 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 9005
- Busnengo, H.F.¹ Crespos, C.² Dong, W.³ Rayez, J.C.⁴ Salin, A.⁵

48
- 0037425980
- C. Diaz, H. F. Busnengo, F. Martin, and A. Salin, J. Chem. Phys. 118, 2886 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 2886
- Diaz, C.¹ Busnengo, H.F.² Martin, F.³ Salin, A.⁴

49
- 0037778712
- M. A. Di Cesare, H. F. Busnengo, W. Dong, and A. Salin, J. Chem. Phys. 118, 11226 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 11226
- Di Cesare, M.A.¹ Busnengo, H.F.² Dong, W.³ Salin, A.⁴

50
- 0346058172
- H. F. Busnengo, E. Pijper, G. J. Kroes, and A. Salin, J. Chem. Phys. 119, 12553 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 12553
- Busnengo, H.F.¹ Pijper, E.² Kroes, G.J.³ Salin, A.⁴

51
- 3142528479
- R. T. van Willigen, M. F. Somers, H. F. Busnengo, and G. J. Kroes, Chem. Phys. Lett. 393, 166 (2004).
- (2004) Chem. Phys. Lett. , vol.393 , pp. 166
- Van Willigen, R.T.¹ Somers, M.F.² Busnengo, H.F.³ Kroes, G.J.⁴

52
- 0001083484
- H. F. Busnengo, A. Salin, and W. Dong, J. Chem. Phys. 112, 7641 (2000).
- (2000) J. Chem. Phys. , vol.112 , pp. 7641
- Busnengo, H.F.¹ Salin, A.² Dong, W.³

53
- 0000058543
- G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 0021-9606 10.1063/1.474682 107, 3309 (1997); G. J. Kroes, E. J. Baerends, and R. C. Mowrey, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.78.3583 78, 3583 (1997); G. J. Kroes, M. R. Wall, J. W. Pang, and D. Neuhauser, J. Chem. Phys. 0021-9606 10.1063/1.473334 106, 1800 (1997); D. A. McCormack, G. J. Kroes, and D. Neuhauser, J. Chem. Phys. 109 (13), 5177 (1998).
- (1997) J. Chem. Phys. , vol.107 , pp. 3309
- Kroes, G.J.¹ Baerends, E.J.² Mowrey, R.C.³

54
- 4143105489
- G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 0021-9606 10.1063/1.474682 107, 3309 (1997); G. J. Kroes, E. J. Baerends, and R. C. Mowrey, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.78.3583 78, 3583 (1997); G. J. Kroes, M. R. Wall, J. W. Pang, and D. Neuhauser, J. Chem. Phys. 0021-9606 10.1063/1.473334 106, 1800 (1997); D. A. McCormack, G. J. Kroes, and D. Neuhauser, J. Chem. Phys. 109 (13), 5177 (1998).
- (1997) Phys. Rev. Lett. , vol.78 , pp. 3583
- Kroes, G.J.¹ Baerends, E.J.² Mowrey, R.C.³

55
- 0031077385
- G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 0021-9606 10.1063/1.474682 107, 3309 (1997); G. J. Kroes, E. J. Baerends, and R. C. Mowrey, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.78.3583 78, 3583 (1997); G. J. Kroes, M. R. Wall, J. W. Pang, and D. Neuhauser, J. Chem. Phys. 0021-9606 10.1063/1.473334 106, 1800 (1997); D. A. McCormack, G. J. Kroes, and D. Neuhauser, J. Chem. Phys. 109 (13), 5177 (1998).
- (1997) J. Chem. Phys. , vol.106 , pp. 1800
- Kroes, G.J.¹ Wall, M.R.² Pang, J.W.³ Neuhauser, D.⁴

56
- 0032185334
- G. J. Kroes, E. J. Baerends, and R. C. Mowrey, J. Chem. Phys. 0021-9606 10.1063/1.474682 107, 3309 (1997); G. J. Kroes, E. J. Baerends, and R. C. Mowrey, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.78.3583 78, 3583 (1997); G. J. Kroes, M. R. Wall, J. W. Pang, and D. Neuhauser, J. Chem. Phys. 0021-9606 10.1063/1.473334 106, 1800 (1997); D. A. McCormack, G. J. Kroes, and D. Neuhauser, J. Chem. Phys. 109 (13), 5177 (1998).
- (1998) J. Chem. Phys. , vol.109 , Issue.13 , pp. 5177
- McCormack, D.A.¹ Kroes, G.J.² Neuhauser, D.³

57
- 0000580288
- D. A. McCormack, G. J. Kroes, E. J. Baerends, and R. C. Mowrey, Faraday Discuss. 110, 267 (1998).
- (1998) Faraday Discuss. , vol.110 , pp. 267
- McCormack, D.A.¹ Kroes, G.J.² Baerends, E.J.³ Mowrey, R.C.⁴

58
- 6444241527
- R. A. Olsen, D. A. McCormack, and E. J. Baerends, Surf. Sci. 571, L325 (2004).
- (2004) Surf. Sci. , vol.571 , pp. 325
- Olsen, R.A.¹ McCormack, D.A.² Baerends, E.J.³

59
- 0036492089
- R. A. Olsen, H. F. Busnengo, A. Salin, M. F. Somers, G. J. Kroes, and E. J. Baerends, J. Chem. Phys. 116, 3841 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 3841
- Olsen, R.A.¹ Busnengo, H.F.² Salin, A.³ Somers, M.F.⁴ Kroes, G.J.⁵ Baerends, E.J.⁶

60
- 0001674952
- Ph.D. Vrije Universiteit
- G. te Velde, Ph.D. Vrije Universiteit, 1990; G. T. Velde and E. J. Baerends, Phys. Rev. B 0163-1829 10.1103/PhysRevB.44.7888 44, 7888 (1991); G. te Velde, and E. J. Baerends, J. Comput. Phys. 99, 84 (1992).
- (1990)
- Te Velde, G.¹

61
- 0001674952
- G. te Velde, Ph.D. Vrije Universiteit, 1990; G. T. Velde and E. J. Baerends, Phys. Rev. B 0163-1829 10.1103/PhysRevB.44.7888 44, 7888 (1991); G. te Velde, and E. J. Baerends, J. Comput. Phys. 99, 84 (1992).
- (1991) Phys. Rev. B , vol.44 , pp. 7888
- Velde, G.T.¹ Baerends, E.J.²

62
- 28144440701
- G. te Velde, Ph.D. Vrije Universiteit, 1990; G. T. Velde and E. J. Baerends, Phys. Rev. B 0163-1829 10.1103/PhysRevB.44.7888 44, 7888 (1991); G. te Velde, and E. J. Baerends, J. Comput. Phys. 99, 84 (1992).
- (1992) J. Comput. Phys. , vol.99 , pp. 84
- Te Velde, G.¹ Baerends, E.J.²

63
- 4243553426
- A. D. Becke, Phys. Rev. A 38, 3098 (1988).
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

64
- 5944261746
- J. P. Perdew, Phys. Rev. B 0163-1829 10.1103/PhysRevB.33.8822 33, 8822 (1986); J. P. Perdew, Phys. Rev. B 33, 8822 (E) (1986).
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

65
- 5944261746
- J. P. Perdew, Phys. Rev. B 0163-1829 10.1103/PhysRevB.33.8822 33, 8822 (1986); J. P. Perdew, Phys. Rev. B 33, 8822 (E) (1986).
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

66
- 17144468969
- R. A. Olsen, S. C. Badescu, S. C. Ying, and E. J. Baerends, J. Chem. Phys. 120, 11852 (2004).
- (2004) J. Chem. Phys. , vol.120 , pp. 11852
- Olsen, R.A.¹ Badescu, S.C.² Ying, S.C.³ Baerends, E.J.⁴

67
- 0000534649
- R. A. Olsen, G. J. Kroes, and E. J. Baerends, J. Chem. Phys. 111, 11155 (1999).
- (1999) J. Chem. Phys. , vol.111 , pp. 11155
- Olsen, R.A.¹ Kroes, G.J.² Baerends, E.J.³

68
- 0034664596
- G. Kresse, Phys. Rev. B 0163-1829 10.1103/PhysRevB.62.8295 62, 8295 (2000); P. Riviere, H. F. Busnengo, and F. Martin, J. Chem. Phys. 0021-9606 10.1063/1.1747970 121, 751 (2004); M. Luppi, R. A. Olsen, and E. J. Baerends, Phys. Rev. B (submitted).
- (2000) Phys. Rev. B , vol.62 , pp. 8295
- Kresse, G.¹

69
- 3242666384
- G. Kresse, Phys. Rev. B 0163-1829 10.1103/PhysRevB.62.8295 62, 8295 (2000); P. Riviere, H. F. Busnengo, and F. Martin, J. Chem. Phys. 0021-9606 10.1063/1.1747970 121, 751 (2004); M. Luppi, R. A. Olsen, and E. J. Baerends, Phys. Rev. B (submitted).
- (2004) J. Chem. Phys. , vol.121 , pp. 751
- Riviere, P.¹ Busnengo, H.F.² Martin, F.³

70
- 21444460291
- G. Kresse, Phys. Rev. B 0163-1829 10.1103/PhysRevB.62.8295 62, 8295 (2000); P. Riviere, H. F. Busnengo, and F. Martin, J. Chem. Phys. 0021-9606 10.1063/1.1747970 121, 751 (2004); M. Luppi, R. A. Olsen, and E. J. Baerends, Phys. Rev. B (submitted).
- Phys. Rev. B
- Luppi, M.¹ Olsen, R.A.² Baerends, E.J.³

71
- 0004161838
- 2nd ed. (Cambridge University Press, New York)
- A. Press, S. Teukolsky, W. Vetterling, and B. Flannery, Numerical Recipes in Fortran 77, 2nd ed. (Cambridge University Press, New York, 1992).
- (1992) Numerical Recipes in Fortran 77
- Press, A.¹ Teukolsky, S.² Vetterling, W.³ Flannery, B.⁴

72
- 0001531757
- D. A. McCormack and G. J. Kroes, Chem. Phys. Lett. 296, 515 (1998).
- (1998) Chem. Phys. Lett. , vol.296 , pp. 515
- McCormack, D.A.¹ Kroes, G.J.²

73
- 0001033421
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1989) J. Chem. Phys. , vol.91 , pp. 2859
- Bowman, J.M.¹ Gazdy, B.² Sun, Q.Y.³

74
- 36549099151
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1989) J. Chem. Phys. , vol.91 , pp. 2863
- Miller, W.H.¹ Hase, W.L.² Darling, C.L.³

75
- 0242323009
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1992) Chem. Phys. Lett. , vol.193 , pp. 512
- Sewell, T.D.¹ Thompson, D.L.² Gezelter, J.D.³ Miller, W.H.⁴

76
- 84892918856
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1992) J. Chem. Phys. , vol.96 , pp. 2034
- Alimi, R.¹ Garciavela, A.² Gerber, R.B.³

77
- 0000057689
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1993) J. Chem. Phys. , vol.99 , pp. 1076
- Varandas, A.J.C.¹

78
- 0000354825
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1994) J. Chem. Phys. , vol.100 , pp. 1908
- Varandas, A.J.C.¹ Marques, J.M.C.²

79
- 5844290019
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705
- (1995) J. Chem. Soc., Faraday Trans. , vol.91 , pp. 3747
- Shen, D.L.¹ Chan, W.T.² Pritchard, H.O.³

80
- 0001677889
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1996) J. Chem. Phys. , vol.104 , pp. 576
- Guo, Y.¹ Thompson, D.L.² Sewell, T.D.³

81
- 0001154902
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1995) J. Chem. Phys. , vol.102 , pp. 1705
- Lim, K.F.¹ McCormack, D.A.²

82
- 85045829091
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1995) J. Chem. Phys. , vol.103 , pp. 1991
- McCormack, D.A.¹ Lim, K.F.²

83
- 0001012189
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1997) J. Chem. Phys. , vol.106 , pp. 572
- McCormack, D.A.¹ Lim, K.F.²

84
- 0033039814
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 1
- McCormack, D.A.¹ Lim, K.F.²

85
- 0001243417
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1995) J. Chem. Phys. , vol.103 , pp. 1989
- Schlier, C.¹

86
- 0007892534
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1994) J. Chem. Phys. , vol.101 , pp. 8768
- Bennun, M.¹ Levine, R.D.²

87
- 0013606318
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1996) J. Chem. Phys. , vol.105 , pp. 8136
- Bennun, M.¹ Levine, R.D.²

88
- 0003160410
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1999) J. Chem. Phys. , vol.111 , pp. 65
- Stock, G.¹ Muller, U.²

89
- 0002063189
- J. M. Bowman, B. Gazdy, and Q. Y. Sun, J. Chem. Phys. 0021-9606 10.1063/1.456955 91, 2859 (1989); W. H. Miller, W. L. Hase, and C. L. Darling, J. Chem. Phys. 0021-9606 10.1063/1.456956 91, 2863 (1989); T. D. Sewell, D. L. Thompson, J. D. Gezelter, and W. H. Miller, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(92)85841-W 193, 512 (1992); R. Alimi, A. Garciavela, and R. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.462106 96, 2034 (1992); A. J. C. Varandas, J. Chem. Phys. 0021-9606 10.1063/1.465407 99, 1076 (1993); A. J. C. Varandas and J. M. C. Marques, J. Chem. Phys. 0021-9606 10.1063/1.466544 100, 1908 (1994); D. L. Shen, W. T. Chan, and H. O. Pritchard, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9959103747 91, 3747 (1995); Y. Guo, D. L. Thompson, and T. D. Sewell, J. Chem. Phys. 0021-9606 10.1063/1.470853 104, 576 (1996); K. F. Lim and D. A. McCormack, J. Chem. Phys. 0021-9606 10.1063/1.468697 102, 1705 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.469725 103, 1991 (1995); D. A. McCormack and K. F. Lim, J. Chem. Phys. 0021-9606 10.1063/1.473396 106, 572 (1997); D. A. McCormack and K. F. Lim, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a808024k 1, 1 (1999); C. Schlier, J. Chem. Phys. 0021-9606 10.1063/1.469724 103, 1989 (1995); M. Bennun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.468071 101, 8768 (1994); M. BenNun and R. D. Levine, J. Chem. Phys. 0021-9606 10.1063/1.472668 105, 8136 (1996); G. Stock and U. Muller, J. Chem. Phys. 0021-9606 10.1063/1.479254 111, 65 (1999); U. Muller and G. Stock, J. Chem. Phys. 111, 77 (1999).
- (1999) J. Chem. Phys. , vol.111 , pp. 77
- Muller, U.¹ Stock, G.²

90
- 0001054795
- A. Gross and M. Scheffler, J. Vac. Sci. Technol. A 15, 1624 (1997).
- (1997) J. Vac. Sci. Technol. A , vol.15 , pp. 1624
- Gross, A.¹ Scheffler, M.²

91
- 0028388008
- G. R. Darling and S. Holloway, Surf. Sci. 304, L461 (1994).
- (1994) Surf. Sci. , vol.304 , pp. 461
- Darling, G.R.¹ Holloway, S.²

92
- 0001006330
- K. Svensson, L. Bengtsson, J. Bellman, M. Hassel, M. Persson, and S. Andersson, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.83.124 83, 124 (1999); L. Bengtsson, K. Svensson, M. Hassel, J. Bellman, M. Persson, and S. Andersson, Phys. Rev. B 61, 16921 (2000).
- (1999) Phys. Rev. Lett. , vol.83 , pp. 124
- Svensson, K.¹ Bengtsson, L.² Bellman, J.³ Hassel, M.⁴ Persson, M.⁵ Andersson, S.⁶

93
- 0001370274
- K. Svensson, L. Bengtsson, J. Bellman, M. Hassel, M. Persson, and S. Andersson, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.83.124 83, 124 (1999); L. Bengtsson, K. Svensson, M. Hassel, J. Bellman, M. Persson, and S. Andersson, Phys. Rev. B 61, 16921 (2000).
- (2000) Phys. Rev. B , vol.61 , pp. 16921
- Bengtsson, L.¹ Svensson, K.² Hassel, M.³ Bellman, J.⁴ Persson, M.⁵ Andersson, S.⁶

94
- 36549092353
- A. C. Luntz, J. K. Brown, and M. D. Williams, J. Chem. Phys. 93, 5240 (1990).
- (1990) J. Chem. Phys. , vol.93 , pp. 5240
- Luntz, A.C.¹ Brown, J.K.² Williams, M.D.³

95
- 0000426088
- P. Samson, A. Nesbitt, B. E. Koel, and A. Hodgson, J. Chem. Phys. 109, 3255 (1998).
- (1998) J. Chem. Phys. , vol.109 , pp. 3255
- Samson, P.¹ Nesbitt, A.² Koel, B.E.³ Hodgson, A.⁴

96
- 0037159071
- E. Pijper, G. J. Kroes, R. A. Olsen, and E. J. Baerends, J. Chem. Phys. 0021-9606 10.1063/1.1501121 117, 5885 (2002); S. M. Kingma, M. F. Somers, E. Pijper, G. J. Kroes, R. A. Olsen, and E. J. Baerends, J. Chem. Phys. 118, 4190 (2003).
- (2002) J. Chem. Phys. , vol.117 , pp. 5885
- Pijper, E.¹ Kroes, G.J.² Olsen, R.A.³ Baerends, E.J.⁴

97
- 0037335510
- E. Pijper, G. J. Kroes, R. A. Olsen, and E. J. Baerends, J. Chem. Phys. 0021-9606 10.1063/1.1501121 117, 5885 (2002); S. M. Kingma, M. F. Somers, E. Pijper, G. J. Kroes, R. A. Olsen, and E. J. Baerends, J. Chem. Phys. 118, 4190 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 4190
- Kingma, S.M.¹ Somers, M.F.² Pijper, E.³ Kroes, G.J.⁴ Olsen, R.A.⁵ Baerends, E.J.⁶

98
- 0003771436
- Pearson Education, Inc.
- W. Schroeder, K. Martin, and B. Lorensen, The Visualization Toolkit: An Object-Oriented Approach to 3D Graphics, 3rd ed. (Pearson Education, Inc., 2002).
- (2002) The Visualization Toolkit: An Object-Oriented Approach to 3D Graphics, 3rd Ed.
- Schroeder, W.¹ Martin, K.² Lorensen, B.³

99
- 84870642786
- Kitware, Visualization Toolkit (VTK) (http://www.kitware.com/vtk/).
- Visualization Toolkit (VTK)

100
- 84856130663
- IBM, OPENDX (http://www.opendx.org).

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.