Dynamic quantum isotope effects on multiple proton-transfer reactions

Bulletin of the Chemical Society of Japan

Volumn 81, Issue 10, 2008, Pages 1230-1240

  Shigeta, Yasuteru ^a   Miyachi, Hideaki ^b   Matsui, Toru ^b   Hirao, Kimihiko ^b  

^a UNIVERSITY OF TSUKUBA   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ADENINE THYMINES; DNA BASE PAIRS; DOUBLE WELLS; DYNAMIC EFFECTS; ENERGY HYPERSURFACE; GEOMETRIC STABILITIES; ISOTOPE EFFECTS; ISOTOPOMER; METASTABLE STRUCTURES; MINIMUM ENERGY PATHS; POINT ENERGIES; PROTONATED; QUANTAL CUMULANT DYNAMICS; QUANTUM EFFECTS; SMALL ENERGIES; TRANSFER REACTIONS; TUNNELING MOTIONS;

CARRIER MOBILITY; ISOTOPES; METASTABLE PHASES; NUCLEIC ACIDS; ORGANIC ACIDS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROTONS; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS; QUANTUM THEORY; SYSTEM STABILITY;

PROTON TRANSFER;

EID: 58149195432     PISSN: 00092673     EISSN: 13480634     Source Type: Journal    
DOI: 10.1246/bcsj.81.1230     Document Type: Article

References (105)

1. P. F. Cook, Enzyme Mechanism from Isotope Effects, CRC press inc., 1991;
2. A. Kohen, H. U. Limbach, Isotope Effects in Chemistry & Biology, CRC press inc., 2006.
3. V. G. Plekhanov, Isotope Effects in Solid State Physics, Academic press, NY, 2001.
4. V. G. Plekhanov, Giant Isotope Effect in Solids, S.-University Press, La Jolla, USA, 2004.
5. V. G. Plekhanov, Applications of the Isotopic Effect in Solids, Springer, Berlin, 2004.
6. E. Maxwell, Phys. Rev. 1950, 78, 477.
7. C. A. Reynolds, B. Serin, W. H. Wright, L. B. Nesbitt, Phys. Rev. 1950, 78, 487.
8. Y. Tominaga, M. Tokunaga, J. Crystallogr. Soc. Jpn. 1998, 40, 26.
9. J. Bardeen, L. N. Cooper, J. R. Schrieffer, Phys. Rev. 1957, 108, 1175.
10. G. Rickayzen, Theory of Superconductivity, Wiley, New York, 1964.
11. L. Melander, Isotope Effects on Reaction Rates, New York, Ronald, 1960.
12. L. Melander, W. H. Saunders, Jr., Reaction Rates of Isotopic Molecules, New York, Wiley, 1980.
13. K. Mauersberger, Geophys. Res. Lett. 1981, 8, 935.
14. S. M. Anderson, D. Hülsebusch, K. Mauersberger, J. Chem. Phys. 1997, 107, 5385.
15. K. Mauersberger, B. Erbacher, D. Krankowsky, J. Günther, R. Nickel, Science 1999, 283, 370.
16. C. Janssen, J. Guenther, K. Mauersberger, D. Krankowsky, Phys. Chem. Chem. Phys. 2001, 3, 4718.
17. H. Umemoto, K. Tanaka, S. Oguro, R. Ozeki, M. Ueda, Chem. Phys. Lett. 2001, 345, 44.
18. D. Babikov, B. K. Kendrick, R. B. Walker, R. Schinke, R. T. Pack, Chem. Phys. Lett. 2003, 372, 686.
19. D. Babikov, B. K. Kendrick, R. B. Walker, R. T. Pack, P. Fleurat-Lesard, R. Schinke, J. Chem. Phys. 2003, 119, 2577.
20. T. Xie, J. M. Bowman, Chem. Phys. Lett. 2005, 412, 131.
21. B. Hartke, J. Manz, J. Chem. Phys. 1990, 92, 220.
22. S. Fujita, A. Garcia, J. Phys. Chem. Solids 1991, 52, 351.
23. Y. Dakhnovskii, B. Bursulaya, H. J. Kim, J. Chem. Phys. 1995, 102, 7838.
24. B. M. Baer, Chem. Phys. Lett. 1999, 312, 203.
25. R. T. Hart, Q. Mei, C. J. Benmore, J. C. Neuefeind, J. F. C. Turner, M. Dolgos, B. Tomberli, P. A. Egelstaff, J. Chem. Phys. 2006, 124, 134505.
26. T. Murakawa, T. Okajima, S. Kuroda, T. Nakamoto, M. Taki, Y. Yamamoto, H. Hayashi, K. Tanizawa, Biochem. Biophys. Res. Commun. 2006, 342, 414.
27. K. Ando, J. Chem. Phys. 2006, 125, 014104;
28. K. Ando, Chem. Phys. Lett. 2003, 376, 532;
29. K. Ando, Phys. Rev. B 2005, 72, 172104.
30. J. C. Tully, Annu. Rev. Phys. Chem. 2000, 51, 153.
31. W. H. Miller, J. Phys. Chem. A 2001, 105, 2942.
32. G. A. Fiete, E. J. Heller, Rev. Mod. Phys. 2003, 75, 933.
33. J. L. Gao, D. G. Truhlar, Annu. Rev. Phys. Chem. 2002, 53, 467.
34. M. F. Herman, E. Kluk, Chem. Phys. 1984, 91, 27.
35. K. G. Kay, Phys. Rev. A 1992, 46, 1213.
36. G. D. Billing, Phys. Chem. Chem. Phys. 2002, 4, 2865.
37. M. Ben-Nun, T. J. Martinez, J. Chem. Phys. 1998, 108, 7244;2000, 112, 6113.
38. C. L. Lopreore, R. E. Wyatt, Phys. Rev. Lett. 1999, 82, 5190.
39. K. Hotta, K. Takatsuka, J. Phys. A: Math. Gen. 2003, 36, 4785.
40. I. Burghardt, J. Chem. Phys. 2005, 122, 094103.
41. R. Jackiw, A. Kerman, Phys. Lett. A 1979, 71, 158.
42. F. Cooper, S.-Y. Pi, P. N. Standoff, Phys. Rev. D 1986, 34, 3831.
43. Y. Tsue, Y. Fujiwara, Prog. Theor. Phys. 1991, 86, 443.
44. Y. Tsue, Prog. Theor. Phys. 1992, 88, 911.
45. Y. Shigeta, Y. Ozaki, K. Kodama, H. Nagao, H. Kawabe, K. Nishikawa, Int. J. Quantum Chem. 1998, 69, 629.
46. Y. Shigeta, H. Takahashi, S. Yamanaka, M. Mitani, H. Nagao, K. Yamaguchi, Int. J. Quantum Chem. 1998, 70, 659.
47. Y. Shigeta, H. Nagao, K. Nishikawa, K. Yamaguchi, J. Chem. Phys. 1999, 111, 6171;
48. Y. Shigeta, H. Nagao, K. Nishikawa, K. Yamaguchi, Int. J. Quantum Chem. 1999, 75, 875.
49. H. Nakai, K. Sodeyama, M. Hoshino, Chem. Phys. Lett. 2001, 345, 118.
50. H. Nakai, Int. J. Quantum Chem. 2002, 86, 511.
51. H. Nakai, K. Sodeyama, J. Chem. Phys. 2003, 118, 1119.
52. H. Nakai, M. Hoshino, K. Miyamoto, S. Hyodo, J. Chem. Phys. 2005, 122, 164101;
53. 2005, 123, 237102.
54. K. Sodeyama, K. Miyamoto, H. Nakai, Chem. Phys. Lett. 2006, 421, 72.
55. M. Hoshino, H. Nakai, J. Chem. Phys. 2006, 124, 194110.
56. K. Miyamoto, M. Hoshino, H. Nakai, J. Chem. Theory Comput. 2006, 2, 1544.
57. K. Sodeyama, H. Nishizawa, M. Hoshino, M. Kobayashi, H. Nakai, Chem. Phys. Lett. 2007, 433, 409.
58. Y. Imamura, H. Kiryu, H. Nakai, J. Comput. Chem. 2008, 29, 735.
59. M. Tachikawa, K. Mori, H. Nakai, K. Iguchi, Chem. Phys. Lett. 1998, 290, 437.
60. M. Tachikawa, Chem. Phys. Lett. 2002, 360, 494.
61. T. Ishimoto, M. Tachikawa, M. Yamauchi, H. Kitagawa, H. Tokiwa, U. Nagashima, Chem. Phys. Lett. 2003, 372, 503;
62. T. Ishimoto, M. Tachikawa, M. Yamauchi, H. Kitagawa, H. Tokiwa, U. Nagashima, J. Phys. Soc. Jpn. 2004, 73, 1775.
63. T. Ishimoto, M. Tachikawa, H. Tokiwa, U. Nagashima, Chem. Phys. 2005, 314, 231;
64. T. Ishimoto, M. Tachikawa, H. okiwa, U. Nagashima, J. Phys. Soc. Jpn. 2005, 74, 3112.
65. T. Ishimoto, M. Tachikawa, U. Nagashima, J. Chem. Phys. 2006, 124, 014112;
66. T. Ishimoto, M. Tachikawa, U. Nagashima, Int. J. Quantum Chem. 2006, 106, 1465;
67. T. Ishimoto, M. Tachikawa, U. Nagashima, J. Chem. Phys. 2006, 125, 144103.
68. T. Udagawa, M. Tachikawa, J. Chem. Phys. 2006, 125, 244105.
69. Y. Itou, S. Mori, T. Udagawa, M. Tachikawa, T. Ishimoto, U. Nagashima, J. Phys. Chem. A 2007, 111, 261.
70. T. Iordanov, S. Hammes-Schiffer, J. Chem. Phys. 2003, 118, 9489.
71. M. V. Pak, C. Swalina, S. P. Webb, S. Hammes-Schiffer, Chem. Phys. 2004, 304, 111.
72. M. V. Pak, S. Hammes-Schiffer, Phys. Rev. Lett. 2004, 92, 103002.
73. C. Swalina, M. V. Pak, S. Hammes-Schiffer, Chem. Phys. Lett. 2005, 404, 394.
74. C. Swalina, M. V. Pak, S. Hammes-Schiffer, J. Chem. Phys. 2005, 123, 014303.
75. A. Reyes, M. V. Pak, S. Hammes-Schiffer, J. Chem. Phys. 2005, 123, 064104.
76. J. H. Skone, M. V. Pak, S. Hammes-Schiffer, J. Chem. Phys. 2005, 123, 134108.
77. C. Swalina, M. V. Pak, A. Chakraborty, S. Hammes-Schiffer, J. Phys. Chem. A 2006, 110, 9983.
78. M. V. Pak, A. Chakraborty, S. Hammes-Schiffer, J. Phys. Chem. A 2007, 111, 4522.
79. Y. Shigeta, K. Takatsuka, J. Chem. Phys. 2005, 123, 131101.
80. O. V. Prezhdo, Y. V. Pereverzev, J. Chem. Phys. 2000, 113, 6557;
81. 2002, 116, 4450.
82. E. Pahl, O. V. Prezhdo, J. Chem. Phys. 2002, 116, 8704.
83. O. V. Prezhdo, J. Chem. Phys. 2002, 117, 2995.
84. E. Heatwole, O. V. Prezhdo, J. Chem. Phys. 2004, 121, 10967;
85. 2005, 122, 234109;
86. 2007, 126, 204108.
87. O. V. Prezhdo, Theor. Chem. Acc. 2006, 116, 206.
88. H. Miyachi, Y. Shigeta, K. Hirao, Chem. Phys. Lett. 2006, 432, 585.
89. Y. Shigeta, H. Miyachi, K. Hirao, J. Chem. Phys. 2006, 125, 244102.
90. Y. Shigeta, H. Miyachi, K. Hirao, Chem. Phys. Lett. 2007, 443, 414.
91. Y. Shigeta, J. Chem. Phys. 2008, 128, 161103.
92. J. Florián, V. Hrouda, P. Hobza, J. Am. Chem. Soc. 1994, 116, 1457.
93. J. Florián, J. Leszczyn'sky, J. Am. Chem. Soc. 1996, 118, 3010.
94. G. Villani, Chem. Phys. 2005, 316, 1;
95. G. Villani, 2006, 324, 438.
96. T. Matsui, Y. Shigeta, K. Hirao, Chem. Phys. Lett. 2006, 423, 331;
97. T. Matsui, Y. Shigeta, K. Hirao, J. Chem. Phys. B 2007, 111, 1176.
98. K. Yagi, C. Oyanagi, T. Taketsugu, K. Hirao, J. Chem. Phys. 2003, 118, 1653.
99. K. Yagi, K. Hirao, T. Taketsugu, M. W. Schmidt, M. S. Gordon, J. Chem. Phys. 2004, 121, 1383.
100. E. Wigner, Phys. Rev. 1932, 40, 749.
101. R. P. Feynman, A. R. Hibbs, Quantum Mechanics and Path Integrals, McGraw-Hill, New York, 1965.
102. R. P. Feynman, H. Kleinen, Phys. Rev. A 1986, 34, 5080.
103. B. Winstead, H. Tsuchiya, U. Ravaioli, J. Comput. Electron. 2002, 1, 201.
104. A. Horikoshi, private communication.
105. Y. Nambu, Phys. Rev. D 1973, 7, 2405.