Computer simulations of Electrochemical interfaces

Advances in Electrochemical Science and Engineering

Volumn 6, Issue , 2008, Pages 1-75

  Spohr, E ^a  

^a UNIVERSITY OF ULM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

INDUSTRIAL ENGINEERING;

ELECTROCHEMICAL INTERFACE;

ENGINEERING;

EID: 84953406504     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527616800.ch1     Document Type: Chapter

References (285)

1. F. F. Abraham, Rep. Prog. Phys. 45, 1113 (1982).
2. W. Schmickler, Interfacial Electrochemistry (Oxford University Press, Oxford, 1995).
3. H. L. F. von Helmholtz, Ann. Physik 89, 211 (1853).
4. H. L. F. von Helmholtz, Ann. Physik 7, 337 (1879).
5. G. Gouy, J. Phys. 9, 457 (1910).
6. D. L. Chapman, Phil. Mag. 25, 475 (1913).
7. O. Stern, Z. Electrochem. 30, 508 (1924).
8. D. C. Grahame, Chem. Rev. 41, 441 (1947).
9. J. O. Bockris, M. A. Devanathan, and K. Müller, Proc. R. Soc. A274, 55 (1963).
10. B. B. Damaskin and A. N. Frumkin, Electrochim. Acta 19, 173 (1974).
11. J. O. Bockris, The Comprehensive Treatise of Electrochemistry Vol 1 (Plenum Press , New York, 1981).
12. C. M. A. Brett and A. M. Oliveira Brett, Electrochemistry. Principles, Methods, and Applications, Oxford Science Publications (Oxford University Press, Oxford, 1993).
13. W. Schmickler and D. Henderson, Prog. Surf. Sci. 22, 323 (1986).
14. J. O. Bockris and A. K. N. Reddy, Modern Electrochemistry, Vol. 1 (Plenum Press, New York, 1977).
15. J. O. Bockris and A. K. N. Reddy, Modern Electrochemistry, Vol. 2 (Plenum Press, New York, 1977).
16. J. M. Haile, Molecular Dynamics Simulation. Elementary Methods (John Wiley & Sons, Inc., New York, 1992).
17. N. A. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys. 21, 1087(1953).
18. B. J. Alder and T. E. Wainwright, J. Chem. Phys. 31, 459 (1959).
19. M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids (Oxford University Press, New York, 1987).
20. Monte Carlo Methods in Statistical Physics, 2nd ed., edited by K. Binder (Springer Verlag, Berlin, 1986).
21. Applications of the Monte Carlo Method in Statistical Physics, edited by K. Binder (Springer Verlag, Berlin, 1984).
22. The Monte Carlo Method in Condensed Matter Physics, Vol. 71 of Topics in Applied Physics, edited by K. Binder (Springer-Verlag, Berlin, 1992).
23. B. Smit and D. Frenkel, Understanding Molecular Simulations. From Algorithms to Applications (Academic Press, San Diego, 1996).
24. P. P. Ewald, Ann. Physik 64, 253 (1921).
25. J. H. Petropoulos and J. K. Petrou, J. Chem. Soc. Faraday Trans. 87, 2017 (1991).
26. S. E. Feller, R. W. Pastor, A. Rojnuckarin, S. Bogusz, and B. R. Brooks, J. Phys. Chem. 100, 17011 (1996).
27. E. Spohr, J. Chem. Phys. 107, 6342 (1997).
28. L. F. Greengard, The Rapid Evaluation of Potential Fields in Particle Systems, ACM Distinguished Dissertations (MIT Press, Cambridge, Massachusetts, 1988).
29. L. Greengard and V. Rokhlin, J. Comp. Phys 73, 325 (1987).
30. W. G. Hoover, Computational Statistical Mechanics (Elsevier, Amsterdam, 1991).
31. W. G. Hoover, Molecular Dynamics, No. 258 in Lecture Notes in Physics (Springer Verlag, Berlin, 1986).
32. R. Haberlandt, S. Fritzsche, G. Peinel, and K. Heinzinger, Molekulardynamik. Grundlagen und Anwendungen (Vieweg, Braunschweig, Wiesbaden, 1995).
33. J. D. Porter and A. S. Zinn, J. Phys. Chem. 97, 1190 (1993).
34. P. Bopp, in The Physics and Chemistry of Aqueous Ionic Solutions, edited by M. C. Bellissent-Funel and G. W. Neilson (Reidel, Amsterdam, 1987).
35. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, and J. Hermans, in Intramolecular Forces, edited by B. Bullman (Reidel, Amsterdam, 1981).
36. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
37. O. Matsuoka, E. Clementi, and M. Yoshimine, J. Chem. Phys. 64, 1351 (1976).
38. P. Bopp, G. Jancsó, and K. Heinzinger, Chem. Phys. Lett. 98, 129 (1983).
39. S. Goldman and P. Backx, J. Chem. Phys. 84, 2761 (1986).
40. J. Böcker, R. R. Nazmutdinov, E. Spohr, and K. Heinzinger, Surf. Sci. 335, 372 (1995).
41. A. Wallqvist and B. J. Berne, J. Phys. Chem. 97, 13841 (1993).
42. S. W. Rick and B. J. Berne, J. Am. Chem. Soc. 116, 3949 (1994).
43. S.-B. Zhu, S. Singh, and G. W. Robinson, J. Chem. Phys. 95, 2791 (1991).
44. A. Kohlmeyer, W. Witschel, and E. Spohr, Chem. Phys. 213, 211 (1996).
45. M. Tuckerman, B. J. Berne, and G. J. Martyna, J. Chem. Phys. 97, 1990 (1992).
46. S. W. Rick, S. J. Stuart, and B. J. Berne, J. Chem. Phys. 101, 6141 (1994).
47. E. Spohr and K. Heinzinger, Chem. Phys. Lett. 123, 218 (1986).
48. E. Spohr and K. Heinzinger, Ber. Bunsenges. Phys. Chem. 92, 1358 (1988).
49. E. Spohr, J. Phys. Chem. 93, 6171 (1989).
50. J. I. Siepmann and M. Sprik, Surf. Sci. Lett. 279, L185 (1992).
51. J. I. Siepmann and M. Sprik, J. Chem. Phys. 102, 511 (1995).
52. K. Foster, K. Raghavan, and M. Berkowitz, Chem. Phys. Lett. 162, 32 (1989).
53. K. Raghavan, K. Foster, and M. Berkowitz, Chem. Phys. Lett. 177, 426 (1991).
54. K. Raghavan, K. Foster, K. Motakabbir, and M. Berkowitz, J. Chem. Phys. 94, 2110 (1991).
55. S.-B. Zhu and M. R. Philpott, J. Chem. Phys. 100, 6961 (1994).
56. E. Spohr, J. Mol. Liquids 64, 91 (1995).
57. J. P. Badiali, Ber. Bunsenges. Phys. Chem. 91, 270 (1987).
58. D. Henderson, E. Leiva, and W. Schmickler, Ber. Bunsenges. Phys. Chem. 91, 280 (1987).
59. W. Schmickler and D. Henderson, J. Chem. Phys. 85, 1650 (1986).
60. V. Russier and M. L. Rosinberg, J. Phys. C: Solid State Phys. 21, L333 (1988).
61. N. D. Lang, Solid State Commun. 7, 1047 (1969).
62. N. D. Lang and W. Kohn, Phys. Rev. B 1, 4555 (1970).
63. J. R. Smith, Phys. Rev. 181, 522 (1969).
64. A. J. Bennett and C. B. Duke, Phys. Rev. 162, 578 (1967).
65. N. D. Lang, Surf. Sci. 299/300, 284 (1994).
66. A. A. Kornyshev, M. B. Partenskii, and W. Schmickler, Z. Naturforsch. 39a, 1122 (1984).
67. M. I. Rojas and E. P. M. Leiva, Surf. Sci. Lett. 227, L121 (1990).
68. W. Schmickler, D. Henderson, and O. R. Melroy, Chem. Phys. Lett. 216, 424 (1993).
69. W. Schmickler, J. Electroanal. Chem. 150, 19 (1983).
70. V. Russier and J. P. Badiali, Phys. Rev. B 39, 13193 (1989).
71. S. Amokrane, V. Russier, and J. P. Badiali, Surface Sci. 217, 425 (1989).
72. W. Schmickler and E. Leiva, Mol. Phys. 86, 737 (1995).
73. J. C. Shelley, G. N. Patey, D. R. Bérard, and G. M. Torrie, J. Chem. Phys. (1997).
74. A. Kohlmeyer and E. Spohr, in preparation.
75. N. Anastasiou, D. Fincham, and K. Singer, J. Chem. Soc. Faraday Trans. II 79, 1639 (1983).
76. K. Heinzinger, Pure & Appl. Chem. 63, 1733 (1991).
77. E. Spohr, Acta Chem. Scand. 49, 189 (1995).
78. J. Böcker, E. Spohr, and K. Heinzinger, Z. Naturforsch. 50a, 611 (1995).
79. E. Spohr, G. Tóth, and K. Heinzinger, Electrochim. Acta 41, 2131 (1996).
80. G. Tóth and K. Heinzinger, Chem. Phys. Lett. 245, 48 (1995).
81. J. Böcker, Z. N. Gurskii, and K. Heinzinger, J. Phys. Chem. 100, 14969 (1996).
82. S. Holloway and K. H. Bennemann, Surf. Sci. 101, 327 (1980).
83. J. E. Müller and J. Harris, Phys. Rev. Lett. 53, 2493 (1984).
84. C. W. Bauschlicher Jr, J. Chem. Phys. 83, 3129 (1985).
85. M. W. Ribarsky, W. D. Luedtke, and U. Landman, Phys. Rev. B 32, 1430 (1985).
86. A. Ignaczak and J. A. N. F. Comes, J. Electroanal. Chem. 420, 209 (1997).
87. H. Sellers and P. V. Sudhakar, J. Chem. Phys. 97, 6644 (1992).
88. R. R. Nazmutdinov, M. Probst, and K. Heinzinger, J. Electroanal. Chem. 369, 227 (1994).
89. J. Fusy and R. Ducros, Surf. Sci. 176, 157 (1986).
90. G. B. Fisher and J. L. Gland, Surf. Sci. 94, 446 (1980).
91. T. E. Madey and J. T. Yates Jr, Chem. Phys. Lett. 51, 77 (1977).
92. C. Benndorf, C. Nöbl, and F. Thieme, Surf. Sci. 121, 249 (1982).
93. W. A. Steele, Surf. Sci. 36, 317 (1973).
94. E. Spohr, M. Wolfsberg, and P. Bopp, Z. Naturforsch. 46a, 174 (1991).
95. E. Spohr and M. Wolfsberg, Surf. Sci. 253, L395 (1991).
96. F. H. Stillinger and T. A. Weber, Phys. Rev. B 31, 5262 (1985).
97. P. A. Thiel and T. E. Madey, Surf. Sci. Reports 7, 211 (1987).
98. G. Nagy and G. Denuault, J. Electroanal. Chem. 433, 153 (1997).
99. G. Nagy and G. Denuault, J. Electroanal. Chem. 433, 161 (1997).
100. A. A. Gardner and J. P. Valleau, J. Chem. Phys. 86, 4171 (1987).
101. M. R. Philpott and J. N. Glosli, J. Electrochem. Soc. 142, L25 (1995).
102. M. R. Philpott, J. N. Glosli, and S. B. Zhu, Surf. Sci. 335, 422 (1995).
103. M. R. Philpott and J. N. Glosli, in Solid-Liquid Electrochemical Interfaces, Vol. 656 of ACS Symposium Series, edited by G. Jerkiewicz, M. P. Soriaga, K. Uosaki, and A. Wieckowski (ACS, Washington, 1997), Chap. 2. Molecular Dynamics Simulation of Interfacial Electrochemical Processes: Electric Double Layer Screening, pp. 13-30.
104. E. Spohr, Electrochim. Acta submitted (1997).
105. K. Heinzinger, Physica 131 B, 196 (1985).
106. K. Heinzinger, in Computer Modelling Of Fluids Polymers and Solids, edited by C. R. A. Catlow et al. (Kluwer Academic Publishers, Dordrecht, 1990), Chap. Molecular Dynamics Simulations of Aqueous Systems, pp. 357-394.
107. J. N. Glosli and M. R. Philpott, J. Chem. Phys. 96, 6962 (1992).
108. J. N. Glosli and M. R. Philpott, in Microscopic Models of Electrode-Electrolyte Interfaces, edited by J. W. Halley and L. Blum (Electrochemical Society Inc., Pennington, 1993), No. 93-5, pp. 90-103.
109. J. N. Glosli and M. R. Philpott, J. Chem. Phys. 98, 9995 (1993).
110. Y. Tamura, K. Tanaka, E. Spohr, and K. Heinzinger, Z. Naturforsch. 43a, 1103 (1988).
111. K. Heinzinger, P. Bopp, and G. Jancsó, Acta Chimica Hungarica 121, 27 (1986).
112. M. M. Probst, E. Spohr, and K. Heinzinger, Chem. Phys. Lett. 161, 405 (1989).
113. M. M. Probst, E. Spohr, K. Heinzinger, and P. Bopp, Molec. Simulation 7, 43 (1991).
114. R. P. Messmer, in The Nature of the Surface Chemical Bond, edited by T. N. Rhodin and G. Ertl (North-Holland, Amsterdam, 1979), Chap. 2. Cluster Model Theory and its Application to Metal Surface-Adsorbate Systems, p. 51.
115. J. Seitz-Beywl, M. Poxleitner, M. M. Probst, and K. Heinzinger, Int. J. Quant. Chem. 42, 1141 (1992).
116. G. Pacchioni, P. S. Bagus, M. R. Philpott, and C. J. Nelin, Int. J. Quant. Chem. 38, 675 (1990).
117. P. S. Bagus, G. Pacchioni, and M. R. Philpott, J. Chem. Phys. 90, 4287 (1989).
118. G. Pacchioni, P. S. Bagus, and M. R. Philpott, Z. Phys. D 12, 543 (1989).
119. M. Blanco, J. M. Ricart, J. Rubio, and F. Illas, J. Electroanal. Chem. 267, 243 (1989).
120. M. Blanco, J. Rubio, and F. Illas, J. Electroanal. Chem. 261, 39 (1989).
121. G. Tóth, E. Spohr, and K. Heinzinger, Chem. Phys. 200, 347 (1995).
122. A. Ignaczak and J. A. N. F. Gomes, J. Electroanal. Chem. 420, 71 (1997).
123. T. Kramar, D. Vogtenhuber, R. Podloucky, and A. Neckel, Electrochim. Acta 40, 43 (1995).
124. J. C. Shelley and G. N. Patey, Mol. Phys. 88, 384 (1996).
125. D. Henderson, F. F. Abraham, and J. A. Barker, Mol. Phys. 31, 1291 (1976).
126. D. Henderson and M. Plischke, J. Phys. Chem. 92, 7177 (1988).
127. J. Quintana, D. Henderson, and A. D. J. Haymet, J. Chem. Phys 98, 1486 (1993).
128. J. K. Percus, J. Stat. Phys. 15, 1772 (1976).
129. M. J. Booth, D. M. Duh, and A. D. J. Haymet, J. Chem. Phys. 101, 7925 (1994).
130. J. G. Harris, J. Gryko, and S. A. Rice, J. Chem. Phys. 86, 1067 (1987).
131. M. P. d'Evelyn and S. A. Rice, J. Chem. Phys. 78, 5081 (1983).
132. L. Bosio, R. Cortes, and C. Segaud, J. Chem. Phys. 71, 3595 (1979).
133. A. M. Brodsky, M. Watanabe, and W. P. Reinhardt, Electrochim. Acta 36, 1695 (1991).
134. M. Watanabe, A. M. Brodsky, and W. P. Reinhardt, J. Chem. Phys. 95, 4593 (1991).
135. X. Xia and M. L. Berkowitz, Phys. Rev. Lett. 74, 3193 (1995).
136. K. J. Schweighofer, X. Xia, and M. L. Berkowitz, Langmuir 12, 3747 (1996).
137. C. Y. Lee, J. A. McCammon, and P. J. Rossky, J. Chem. Phys. 80, 4448 (1984).
138. E. Spohr, J. Chem. Phys. 106, 388 (1997).
139. E. Spohr and K. Heinzinger, Electrochim. Acta 33, 1211 (1988).
140. M. F. Toney, J. N. Howard, J. Richter, G. L. Borges, J. G. Gordon, O. R. Melroy, D. G. Wiesler, D. Yee, and L. B. Sorensen, Nature 368, 444 (1994).
141. A. Wallqvist, Chem. Phys. Lett. 165, 437 (1990).
142. K. A. Motakabbir and M. L. Berkowitz, Chem. Phys. Lett. 176, 61 (1991).
143. M. L. Berkowitz and L. Perera, in Theoretical and Computational Approaches to Interface Phenomena, edited by H. L. Seller and J. T. Golab (Plenum Press, New York, 1994).
144. K. Heinzinger, Fluid Phase Equilibria 104, 277 (1995).
145. K. Heinzinger, in Structure of Electrijed Interfaces, Frontiers of Electrochemistry, edited by J. Lipkowski and P. N. Ross ( VCH, New York, 1993), Chap. 7. Molecular Dynamics of Water at Interfaces, p. 239.
146. G. Aloisi, M. L. Foresti, R. Guidelli, and P. Barnes, J. Chem. Phys. 91, 5592 (1989).
147. G. Aloisi and R. Guidelli, J. Chem. Phys. 95, 3679 (1991).
148. J. Hautman, J. W. Halley, and Y.-J. Rhee, J. Chem. Phys. 91, 467 (1989).
149. S. B. Zhu and G. W. Robinson, J. Chem. Phys. 94, 1403 (1991).
150. G. Nagy and K. Heinzinger, J. Electroanal. Chem. 296, 549 (1990).
151. G. Nagy, K. Heinzinger, and E. Spohr, Faraday Discuss. 94, 307 (1992).
152. H. Yang and J. L. Whitten, Surf. Sci. 223, 131 (1989).
153. M. Rosi and C. W. Bauschlicher Jr, J. Chem. Phys. 90, 7264 (1989).
154. S. Trasatti, personal communication.
155. A. Kohlmeyer, Computersimulation von Wasserensembles unter Berücksichtigung der Polarisierbarkeit, Diplomarbeit, Universität Ulm, 1995.
156. A. G. Kalinichev and K. Heinzinger, Geochim. Cosmochim. Acta 59, 641 (1995).
157. K. Heinzinger and G. Pálinkás, in Interactions of Water in Ionic and Nonionic Hydrates, edited by H. Kleeberg (Springer, Heidelberg, 1987), p. 1.
158. E. Spohr, Chem. Phys. 141, 87 (1990).
159. M. Marchesi, Chem. Phys. Lett. 97, 224 (1983).
160. G. Barabino, C. Gavotti, and M. Marchesi, Chem. Phys. Lett 104, 478 (1984).
161. R. M. Townsend and S. A. Rice, J. Chem. Phys. 94, 2207 (1991).
162. P. J. Rossky and S. H. Lee, Chemica Scripta 29a, 1 (1989).
163. R. Sonnenschein and K. Heinzinger, Chem. Phys. Lett. 102, 550 (1983).
164. E. Spohr and K. Heinzinger, J. Chem. Phys. 84, 2304 (1986).
165. O. A. Karim and A. D. J. Haymet, Chem. Phys. Lett. 138, 531 (1987).
166. S. H. Lee and P. J. Rossky, J. Chem. Phys. 100, 3334 (1994).
167. E. Spohr, Computer Modeling of Aqueous/Metallic Interfaces, Habilitationsschrift, Universität Ulm, 1995.
168. M. Neumann, J. Chem. Phys. 85, 1567 (1986).
169. L. E. Firment and G. A. Somorjai, J. Chem. Phys. 63, 1037 (1975).
170. L. E. Firment and G. A. Somorjai, Surf. Sci. 84, 275 (1979).
171. P. A. Thiel, F. M. Hoffmann, and W. H. Weinberg, J. Chem. Phys. 75, 5556 (1981).
172. C. Noebl, C. Benndorf, and T. E. Madey, Surface Sci. 157, 29 (1985).
173. A. Spitzer and H. Lueth, Surf. Sci. 120, 376 (1982).
174. K. Bange, D. E. Grider, T. E. Madey, and J. K. Sass, Surf. Sci. 136, 38 (1984).
175. R. N. Barnett, U. Landman, and A. Nitzan, J. Chem. Phys. 93, 6535 (1990).
176. J. G. Gordon, O. R. Melroy, and M. F. Toney, Electrochim. Acta 40, 3 (1995).
177. K. Nicklas, P. Bopp, and J. Brickmann, J. Chem. Phys. 101, 3157 (1994).
178. D. Henderson, Fundamentals of inhomogeneous Fluids (Marcel Dekker, New York, 1992).
179. S. L. Carnie, Ber. Bunsenges. Phys. Chem. 91, 262 (1987).
180. S. L. Carnie and G. M. Torrie, Adv. Chem. Phys. 56, 141 (1984).
181. G. M. Torrie, P. G. Kusalik, and G. N. Patey, J. Chem. Phys. 91, 6367 (1989).
182. L. Blum, Adv. Chem. Phys. 78, 171 (1990).
183. P. Attard, Adv. Chem. Phys. 92, 1 (1996).
184. G. M. Torrie and J. P. Valleau, Chem. Phys. Lett. 28, 578 (1974).
185. G. M. Torrie and J. P. Valleau, J. Comput. Phys. 23, 187 (1977).
186. G. Ciccotti, M. Ferrario, J. T. Hynes, and R. Kapral, Chem. Phys. 129, 241 (1989).
187. D. A. Rose and I. Benjamin, J. Chem. Phys. 95, 6956 (1991).
188. D. A. Rose and I. Benjamin, J. Chem. Phys. 98, 2283 (1993).
189. J. Seitz-Beywl, M. Poxleitner, and K. Heinzinger, Z. Naturforsch. 46a, 876 (1991).
190. E. Spohr, Chem. Phys. Lett. 207, 214 (1993).
191. L. Perera and M. L. Berkowitz, J. Phys. Chem. 97, 13803 (1993).
192. B. Eck and E. Spohr, Electrochim. Acta 42, 2779 (1997).
193. M. A. Wilson, A. Pohorille, and L. R. Pratt, Chem. Phys. 129, 209 (1989).
194. I. Benjamin, J. Chem. Phys. 95, 3698 (1991).
195. M. A. Wilson and A. Pohorille, J. Chem. Phys. 95, 6005 (1991).
196. B. Eck, Computersimulation von Grenzflächen zwischen wäßrigen Elektrolytlosungen und einer Metalloberfläche, Diplomarbeit, Universität Ulm, 1994.
197. D. A. Rose and I. Benjamin, J. Chem. Phys. 100, 3545 (1994).
198. I. Benjamin, J. Chem. Phys. 96, 577 (1992).
199. I. Benjamin, Chem. Phys. 180, 287 (1994).
200. K. J. Schweighofer and I. Benjamin, Chem. Phys. Lett. 202, 379 (1993).
201. J. L. Stickney, S. D. Rosasco, G. N. Salaita, and A. T. Hubbard, Langmuir 1, 66 (1985).
202. A. T. Hubbard. Chem. Rev. 99. 633 (1988).
203. R. Vogel, I. Kamphausen, and H. Baltruschat, Ber. Bunsenges. Phys. Chem. 96, 525 (1992).
204. B. M. Ocko, G. M. Watson, and J. Wang, J. Phys. Chem. 98, 897 (1994).
205. O. M. Magnussen, B. M. Ocko, R. R. Adzic, and J. X. Wang, Phys. Rev. B 51, 5510 (1995).
206. L. A. Curtiss, J. W. Halley, J. Hautman, N. C. Hung, Z. Nagy, Y.-J. Rhee, and R. M. Yonco, J. Electrochem. Soc. 138, 2032 (1991).
207. R. Marcus, J. Chem. Phys. 24, 966 (1965).
208. V. G. Levich, Physical Chemistry: An Advanced Treatise, edited by H. Eyring, D. Henderson, and W. Jost (Academic Press Inc, New York, 1970), No. IX b.
209. C. Miller and M. Grätzel, J. Phys. Chem. 95, 5225 (1991).
210. C. E. D. Chidsey, Science 251, 919 (1991).
211. A. Warshel, J. Phys. Chem. 86, 2218 (1982).
212. J. K. Hwang and A. Warshel, J. Am. Chem. Soc. 109, 715 (1987).
213. R. A. Kuharski, J. S. Bader, D. Chandler, M. Sprik, M. L. Klein, and R. W. Impey, J. Chem. Phys. 89, 3248 (1988).
214. Y. Hatano, M. Saito, T. Kakitani, and N. Mataga, J., Phys. Chem. 92, 1008 (1988).
215. E. A. Carter and J. T. Hynes, J. Phys. Chem. 93, 2184 (1989).
216. G. King and A. Warshel, J. Chem. Phys. 93, 8682 (1990).
217. I. Benjamin, J. Phys. Chem. 95, 6675 (1991).
218. J. B. Straus and G. A. Voth, J. Phys. Chem. 97, 7388 (1993).
219. B. B. Smith and J. W. Halley, J. Chem. Phys. 101, 10915 (1994).
220. D. A. Rose and I. Benjamin, Chem. Phys. Lett. 234, 209 (1995).
221. R. F. Grote and J. T. Hynes, J. Chem. Phys. 73, 2715 (1980).
222. H. A. Kramers, Physica 7, 284 (1940).
223. J. B. Straus, A. Calhoun, and G. A. Voth, J. Chem. Phys. 102, 529 (1995).
224. R. P. Feynman, Statistical Mechanics (Addison-Wesley, Reading, MA, 1982).
225. B. E. Conway, Modern Aspects of Electrochemistry, edited by B. E. Conway, R. E. White, and J. O. Bockris (Plenum Press, New York, 1985), Vol. 16.
226. U. Frese and W. Schmickler, Ber. Bunsenges. Phys. Chem. 92, 1413 (1988).
227. U. Frese and U. Stimming, J. Electroanal. Chem. 198, 409 (1986).
228. V. M. Tsionskii, L. I. Krishtalik, and L. B. Kriksunov, Electrochim. Acta 33, 623 (1988).
229. W. Schmickler, J. Electroanal. Chem. 284, 269 (1990).
230. O. Pecina, W. Schmickler, and E. Spohr, J. Electroanal. Chem. 394, 29 (1995).
231. O. Pecina, W. Schmickler, and E. Spohr, J. Electroanal. Chem. 405, 239 (1995).
232. W. Schmickler, J. Electroanal. Chem. 100, 533 (1979).
233. A. A. Kornyshev and W. Schmickler, J. Electroanal. Chem. 185, 253 (1985).
234. R. R. Nazmutdinov and E. Spohr, J. Phys. Chem. 98, 5956 (1994).
235. X. Xia and M. L. Berkowitz, Chem. Phys. Lett. 227, 561 (1994).
236. W. Schmickler, Chem. Phys. Lett. 237, 152 (1995).
237. P. W. Anderson, Phys. Rev. 124, 41 (1961).
238. M. D. Newns, Phys. Rev. 178, 1123 (1969).
239. R. Nazmutdinov, unpublished results.
240. D. Borgis and J. Hynes, J. Phys. Chem. 100, 1118 (1996).
241. A. Staib, D. Borgis, and J. Hynes, J. Chem. Phys. 102, 2487 (1995).
242. D. Borgis and J. Hynes, Chem. Phys. 170, 315 (1993).
243. J. Timoneda and J. Hynes, J. Phys. Chem. 95, 10431 (1991).
244. D. Borgis and J. Hynes, J. Chem. Phys. 94, 3619 (1991).
245. D. Borgis, S. Lee, and J. Hynes, Chem. Phys. Lett. 162, 19 (1989).
246. M. Tuckerman, D. Marx, M. Klein, and M. Parrínello, Science 275, 817 (1997).
247. O. Pecina, Ph.D. thesis, Universität Ulm, Ulm, 1996.
248. O. Pecina and W. Schmickler, J. Electroanal. Chem. 431, 47 (1997).
249. I. Benjamin and A. Pohorille, J. Chem. Phys. 98, 236 (1993).
250. A. Pohorille and M. A. Wilson, in Reaction Dynamics in Clusters and Condensed Phases, edited by J. Jorner, R. D. Levine, and B. Pullman (Kluwer, Dordrecht, 1994).
251. I. Benjamin, Chem. Rev. 96, 1449 (1996).
252. I. Benjamin, D. Evans, and A. Nitzan, J. Chem. Phys. 106, 6647 (1997).
253. A. Mosyak, P. Graf, I. Benjamin, and A. Nitzan, J. Phys. Chem. A 101, 429 (1997).
254. I. Benjamin, D. Evans, and A. Nitzan, J. Chem. Phys. 106, 1291 (1997).
255. G. Nagy and G. Denuault, J. Electroanal. Chem. 433, 37 (1997).
256. M. R. Philpott and J. N. Glosli, Chem. Phys. 198, 53 (1995).
257. J. Hautman and M. Klein, J. Chem. Phys. 91, 4994 (1989).
258. S. H. Lee and H. Kim, Bulletin of the Korean Chemical Society 17, 700 (1996).
259. E. Kramarenko, R. Winkler, P. Khalatur, and A. Kohkhlov, J. Chem. Phys. 104, 4806 (1996).
260. C. Wijmans and P. Linse, J. Chem. Phys. 106, 328 (1997).
261. T. Wallin and P. Linse, J. Phys. Chem. 100, 17873 (1996).
262. C. Wijmans and P. Linse, J. Phys. Chem. 100, 12583 (1996).
263. P. Linse, Macromolecules 29, 326 (1996).
264. A. Pohorille and I. Benjamin, J. Phys. Chem. 97, 2665 (1993).
265. D. A. Rose and I. Benjamin, J. Phys. Chem. 96, 9561 (1992).
266. I. Benjamin, Science 261, 1558 (1993).
267. K. J. Schweighofer and I. Benjamin, J. Electroanal. Chem. 391, 1 (1995).
268. T.-M. Chang and L. X. Dang, Chem. Phys. Lett. 263, 39 (1996).
269. I. Benjamin, Mod. Aspects of Electrochemistry 31, 115 (1997).
270. L. Perera, U. Essmann, and M. L. Berkowitz, Langmuir 12, 2625 (1996).
271. K. Raghavan, M. R. Reddy, and M. L. Berkowitz, Langmuir 8, 233 (1992).
272. S.-J. Marrink, M. Berkowitz, and H. J. C. Berendsen, Langmuir 9, 3122 (1993).
273. J. Böcker, J. Brickmann, and P. Bopp, J. Phys. Chem. 98, 712 (1994).
274. J. Böcker, M. Schlenkrich, P. Bopp, and J. Brickmann, J. Phys. Chem. 96, 9915 (1992).
275. J. Böcker, M. Schlenkrich, K. Nicklas, J. Brickmann, and P. Bopp, J. Chim. Phys. 88, 2535(1991).
276. R. Dryfe, Z. Ding, R. Wellington, P. F. Brevet, A. M. Kuznetzov, and H. H. Girault, J. Phys. Chem. A 101, 2519 (1997).
277. A. Tamburelloluca, P. Hebert, P. Brevet, and H. Girault, J. Electroanal. Chem. 409, 123 (1996).
278. Z. Ding, R. Wellington, P. Brevet, and H. Girault, J. Phys. Chem. 100, 10658 (1996).
279. H. Girault, J. Electroanal. Chem. 388, 93 (1995).
280. H. Wang, E. Borguet, and K. Eisenthal, J. Phys. Chem. A 101, 713 (1997).
281. K. Eisenthal, J. Phys. Chem. 100, 12997 (1996).
282. K. Eisenthal, Chem. Rev. 96, 1343 (1996).
283. X. Shi, E. Borguet, A. Tarnovsky, and K. Eisenthal, Chem. Phys. 205, 167 (1996).
284. G. Nagy and G. Denuault, J. Electroanal. Chem. 450, 159 (1997).
285. D. L. Price and J. W. Halley, J. Chem. Phys. 102, 6603 (1995).