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Volumn 128, Issue 3, 2008, Pages

Water clusters (H2O)n, n=6-8, in external electric fields

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRIC DIPOLE MOMENTS; ELECTRIC FIELD EFFECTS; HYDROGEN BONDS; POTENTIAL ENERGY;

EID: 38349092697     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2816565     Document Type: Article
Times cited : (59)

References (69)
  • 2
    • 33744478421 scopus 로고    scopus 로고
    • JPCAFH 1089-5639 10.1021/jp060512l.
    • B. Bandow and B. Hartke, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp060512l 110, 5809 (2006).
    • (2006) J. Phys. Chem. A , vol.110 , pp. 5809
    • Bandow, B.1    Hartke, B.2
  • 3
    • 33645725564 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.443631, ();, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.48.3764 48, 3764 (1993);, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(93)E1370-V 217, 311 (1994);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.470871 104, 17 (1996);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477714 109, 10201 (1998);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.479897 111, 6011 (1999).
    • M. F. Vernon, D. J. Krajnovich, H. S. Kwok, J. M. Lisy, Y. R. Shen, and Y. T. Lee, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.443631 77, 47 (1982); B. J. Mhin, S. J. Lee, and K. S. Kim, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.48.3764 48, 3764 (1993); P. N. Krishnan, J. O. Jensen, and L. A. Burke, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(93)E1370-V 217, 311 (1994); F. Huisken, M. Kaloudis, and A. Kulcke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.470871 104, 17 (1996); J. B. Paul, R. A. Provencal, C. Chapo, A. Petterson, and R. J. Saykally, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477714 109, 10201 (1998); E. R. Batista, S. S. Xantheas, and H. Jonsson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.479897 111, 6011 (1999).
    • (1982) J. Chem. Phys. , vol.77 , pp. 47
    • Vernon, M.F.1    Krajnovich, D.J.2    Kwok, H.S.3    Lisy, J.M.4    Shen, Y.R.5    Lee, Y.T.6    Mhin, B.J.7    Lee, S.J.8    Kim, K.S.9    Krishnan, P.N.10    Jensen, J.O.11    Burke, L.A.12    Huisken, F.13    Kaloudis, M.14    Kulcke, A.15    Paul, J.B.16    Provencal, R.A.17    Chapo, C.18    Petterson, A.19    Saykally, R.J.20    more..
  • 6
    • 0033963566 scopus 로고    scopus 로고
    • SCIEAS 0036-8075 10.1126/science.287.5451.293.
    • K. Nauta and R. E. Miller, Science SCIEAS 0036-8075 10.1126/science.287. 5451.293 287, 293 (2000).
    • (2000) Science , vol.287 , pp. 293
    • Nauta, K.1    Miller, R.E.2
  • 7
    • 84921719735 scopus 로고
    • The Structure and Properties of Water (Oxford University Press, New York).
    • D. Eisenberg and W. Kauzmann, The Structure and Properties of Water (Oxford University Press, New York, 1969).
    • (1969)
    • Eisenberg, D.1    Kauzmann, W.2
  • 8
    • 0000956592 scopus 로고
    • JACSAT 0002-7863 10.1021/ja00037a034, ();, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100018a004 99, 6767 (1995);, Nature (London) NATUAS 0028-0836 10.1038/379055a0 379, 55 (1996);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.474271 107, 6023 (1997);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477630 109, 9645 (1998);, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/1521-3773(20010518)40:10<1808::AID-ANIE1808>3.0.CO;2-1 40, 1808 (2001);, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.137402 89, 137402 (2002).
    • S. W. Benson and E. D. Siebert, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00037a034 114, 4269 (1992); I. Ohmine, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100018a004 99, 6767 (1995); A. Luzar and D. Chandler, Nature (London) NATUAS 0028-0836 10.1038/379055a0 379, 55 (1996); J. V. Coe, A. D. Earhart, M. H. Cohen, G. J. Hoffman, H. W. Sarkas, and K. H. Bowen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.474271 107, 6023 (1997); G. Brown, F. N. Keutsch, and R. J. Saykally, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477630 109, 9645 (1998); R. Ludwig, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/1521-3773(20010518)40: 10<1808::AID-ANIE1808>3.0.CO;2-1 40, 1808 (2001); J.-H. Guo, Y. Guo, A. Augustsson, J.-E. Rubensson, C. Sthe, H. Ågren, H. Siegbahn, and J. Nordgren, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.137402 89, 137402 (2002).
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 4269
    • Benson, S.W.1    Siebert, E.D.2    Ohmine, I.3    Luzar, A.4    Chandler, D.5    Coe, J.V.6    Earhart, A.D.7    Cohen, M.H.8    Hoffman, G.J.9    Sarkas, H.W.10    Bowen, K.H.11    Brown, G.12    Keutsch, F.N.13    Saykally, R.J.14    Ludwig, R.15    Guo, J.-H.16    Guo, Y.17    Augustsson, A.18    Rubensson, J.-E.19    Sthe, C.20    more..
  • 11
    • 36749118906 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1681463, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.433969 66, 498 (1977);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.439795 72, 5062 (1980);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.454595 88, 5352 (1988).
    • T. R. Dyke and J. S. Muenter, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1681463 60, 2929 (1974); T. R. Dyke, K. M. Mack, and J. S. Muenter, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.433969 66, 498 (1977); J. A. Odutola and T. R. Dyke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.439795 72, 5062 (1980); J. A. Odutola, T. A. Hu, D. Prinslow, S. E. O'dell, and T. R. Dyke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.454595 88, 5352 (1988).
    • (1974) J. Chem. Phys. , vol.60 , pp. 2929
    • Dyke, T.R.1    Muenter, J.S.2    Dyke, T.R.3    MacK, K.M.4    Muenter, J.S.5    Odutola, J.A.6    Dyke, T.R.7    Odutola, J.A.8    Hu, T.A.9    Prinslow, D.10    O'Dell, S.E.11    Dyke, T.R.12
  • 13
    • 0345926506 scopus 로고    scopus 로고
    • JPCHAX 0022-3654 10.1021/jp9616019.
    • J. K. Gregory and D. C. Clary, J. Phys. Chem. JPCHAX 0022-3654 10.1021/jp9616019 100, 18014 (1996).
    • (1996) J. Phys. Chem. , vol.100 , pp. 18014
    • Gregory, J.K.1    Clary, D.C.2
  • 14
    • 1842530862 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1645777.
    • N. Goldman and R. J. Saykally, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1645777 120, 4777 (2004).
    • (2004) J. Chem. Phys. , vol.120 , pp. 4777
    • Goldman, N.1    Saykally, R.J.2
  • 15
    • 0001220871 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1678174.
    • T. R. Dyke and J. S. Muenter, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1678174 57, 5011 (1972).
    • (1972) J. Chem. Phys. , vol.57 , pp. 5011
    • Dyke, T.R.1    Muenter, J.S.2
  • 16
    • 0031271692 scopus 로고    scopus 로고
    • JPCAFH 1089-5639 10.1021/jp970781z, ();, Chem. Commun. (Cambridge) CHCOFS 1359-7345 2004, 2220.
    • K. Liu, M. G. Brown, J. D. Cruzan, and R. J. Saykally, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp970781z 101, 9011 (1997); B.-Q. Ma, H.-L. Sun, and S. Gao, Chem. Commun. (Cambridge) CHCOFS 1359-7345 2004, 2220.
    • (1997) J. Phys. Chem. A , vol.101 , pp. 9011
    • Liu, K.1    Brown, M.G.2    Cruzan, J.D.3    Saykally, R.J.4    Ma, B.-Q.5    Sun, H.-L.6    Gao, S.7
  • 17
    • 36549103228 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.458133, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.471469 104, 7606 (1996);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1423940 116, 1479 (2002);, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp035869t 108, 2305 (2004).
    • B. J. Smith, D. J. Swanton, J. A. Pople, H. F. Schaefer III, and L. Radom, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.458133 92, 1240 (1990); E. M. Mas and K. Szalewicz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.471469 104, 7606 (1996); C. J. Burnham and S. S. Xantheas, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1423940 116, 1479 (2002); X. Xu and W. A. Goddard III, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp035869t 108, 2305 (2004).
    • (1990) J. Chem. Phys. , vol.92 , pp. 1240
    • Smith, B.J.1    Swanton, D.J.2    Pople, J.A.3    Iii, F.S.H.4    Radom, L.5    Mas, E.M.6    Szalewicz, K.7    Burnham, C.J.8    Xantheas, S.S.9    Xu, X.10    Iii, A.G.W.11
  • 18
    • 33645924615 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.470082.
    • J. K. Gregory and D. C. Clary, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.470082 103, 8925 (1995).
    • (1995) J. Chem. Phys. , vol.103 , pp. 8925
    • Gregory, J.K.1    Clary, D.C.2
  • 21
    • 36448999385 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.467434.
    • C. Lee, H. Chen, and G. Fitzgerald, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.467434 101, 4472 (1994).
    • (1994) J. Chem. Phys. , vol.101 , pp. 4472
    • Lee, C.1    Chen, H.2    Fitzgerald, G.3
  • 23
    • 0000290520 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.477211.
    • J. Kim and K. S. Kim, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477211 109, 5886 (1998).
    • (1998) J. Chem. Phys. , vol.109 , pp. 5886
    • Kim, J.1    Kim, K.S.2
  • 26
    • 0342579116 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.468914.
    • C. Lee, H. Chen, and G. Fitzgerald, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.468914 102, 1266 (1995).
    • (1995) J. Chem. Phys. , vol.102 , pp. 1266
    • Lee, C.1    Chen, H.2    Fitzgerald, G.3
  • 27
    • 0001106901 scopus 로고
    • CHPLBC 0009-2614 10.1016/0009-2614(93)85438-T.
    • C. J. Tsai and K. D. Jordan, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(93)85438-T 212, 181 (1993).
    • (1993) Chem. Phys. Lett. , vol.212 , pp. 181
    • Tsai, C.J.1    Jordan, K.D.2
  • 28
    • 0001626331 scopus 로고
    • JACSAT 0002-7863 10.1021/ja00104a047.
    • K. Kim, K. D. Jordan, and T. S. Zwier, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00104a047 116, 11568 (1994).
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 11568
    • Kim, K.1    Jordan, K.D.2    Zwier, T.S.3
  • 29
    • 0000065763 scopus 로고
    • CHPLBC 0009-2614 10.1016/0009-2614(86)80564-4, ();, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(92)90049-S 198, 59 (1992);, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100122a005 97, 5208 (1993);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.465042 98, 4059 (1993).
    • K. S. Kim, M. Dupuis, and E. Clementi, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(86)80564-4 131, 451 (1986); K. A. Franken, M. Jalaie, and C. E. Dykstra, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(92)90049-S 198, 59 (1992); C. J. Tsai and K. D. Jordan, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100122a005 97, 5208 (1993); A. Vegiri and S. C. Farrantos, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.465042 98, 4059 (1993).
    • (1986) Chem. Phys. Lett. , vol.131 , pp. 451
    • Kim, K.S.1    Dupuis, M.2    Clementi, E.3    Franken, K.A.4    Jalaie, M.5    Dykstra, C.E.6    Tsai, C.J.7    Jordan, K.D.8    Vegiri, A.9    Farrantos, S.C.10
  • 30
    • 33751385125 scopus 로고
    • JPCHAX 0022-3654 10.1021/j100122a005.
    • C. J. Tsai and K. D. Jordan, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100122a005 97, 5208 (1993).
    • (1993) J. Phys. Chem. , vol.97 , pp. 5208
    • Tsai, C.J.1    Jordan, K.D.2
  • 34
    • 4243126998 scopus 로고    scopus 로고
    • SCIEAS 0036-8075 10.1126/science.271.5251.929.
    • K. Liu, J. D. Cruzan, and R. J. Saykally, Science SCIEAS 0036-8075 10.1126/science.271.5251.929 271, 929 (1996).
    • (1996) Science , vol.271 , pp. 929
    • Liu, K.1    Cruzan, J.D.2    Saykally, R.J.3
  • 35
    • 0027989792 scopus 로고
    • SCIEAS 0036-8075 10.1126/science.265.5168.75.
    • R. N. Pribble and T. S. Zwier, Science SCIEAS 0036-8075 10.1126/science.265.5168.75 265, 75 (1994).
    • (1994) Science , vol.265 , pp. 75
    • Pribble, R.N.1    Zwier, T.S.2
  • 36
    • 0035886252 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1410940, ();, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b400664j 6, 3320 (2004).
    • M. E. Fajardo and S. Tam, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1410940 115, 6807 (2001); C. Steinbach, P. Andersson, M. Melzer, J. K. Kazimirski, U. Buck, and V. Buch, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b400664j 6, 3320 (2004).
    • (2001) J. Chem. Phys. , vol.115 , pp. 6807
    • Fajardo, M.E.1    Tam, S.2    Steinbach, C.3    Andersson, P.4    Melzer, M.5    Kazimirski, J.K.6    Buck, U.7    Buch, V.8
  • 37
    • 22444441768 scopus 로고    scopus 로고
    • SCHEER 1061-0278 10.1080/10610270500067616.
    • Y.-Q. Jiang and Z.-X. Xie, Supramol. Chem. SCHEER 1061-0278 10.1080/10610270500067616 17, 291 (2005).
    • (2005) Supramol. Chem. , vol.17 , pp. 291
    • Jiang, Y.-Q.1    Xie, Z.-X.2
  • 43
    • 0000065763 scopus 로고
    • CHPLBC 0009-2614 10.1016/0009-2614(86)80564-4, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460788 95, 3850 (1991);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464717 98, 7257 (1993).
    • K. S. Kim, M. Dupuis, G. C. Lie, and E. Clementi, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(86)80564-4 131, 7766 (1986); C. J. Tsai and K. D. Jordan, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460788 95, 3850 (1991); D. J. Wales and I. Ohmine, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464717 98, 7257 (1993).
    • (1986) Chem. Phys. Lett. , vol.131 , pp. 7766
    • Kim, K.S.1    Dupuis, M.2    Lie, G.C.3    Clementi, E.4    Tsai, C.J.5    Jordan, K.D.6    Wales, D.J.7    Ohmine, I.8
  • 47
    • 1242346370 scopus 로고
    • JPCHAX 0022-3654 10.1021/j100308a038, ();, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(96)00852-4 260, 499 (1996);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472190 105, 3715 (1996);, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr990054v 100, 3863 (2000);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1864892 122, 134304 (2005);, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/anie.200460899 44, 811 (2005);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1899583 122, 194310 (2005);, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp066372x 110, 13388 (2006).
    • H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100308a038 91, 6269 (1987); J. O. Jensen, P. N. Krishnan, and L. A. Burke, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(96)00852-4 260, 499 (1996); L. S. Sremaniak, L. Perera, and M. L. Berkowitz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472190 105, 3715 (1996); U. Buck and F. Huisken, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr990054v 100, 3863 (2000); G. S. Fanourgakis, E. Aprá, W. A. de Jong, and S. S. Xantheas, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1864892 122, 134304 (2005); R. Ludwig and A. Appelhangen, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/anie.200460899 44, 811 (2005); A. Lagutschenkov, G. S. Fanourgakis, G. N. Schatterburg, and S. S. Xantheas, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1899583 122, 194310 (2005); A. Lenz and L. Ojamäe, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp066372x 110, 13388 (2006).
    • (1987) J. Phys. Chem. , vol.91 , pp. 6269
    • Berendsen, H.J.C.1    Grigera, J.R.2    Straatsma, T.P.3    Jensen, J.O.4    Krishnan, P.N.5    Burke, L.A.6    Sremaniak, L.S.7    Perera, L.8    Berkowitz, M.L.9    Buck, U.10    Huisken, F.11    Fanourgakis, G.S.12    Aprá, E.13    De Jong, W.A.14    Xantheas, S.S.15    Ludwig, R.16    Appelhangen, A.17    Lagutschenkov, A.18    Fanourgakis, G.S.19    Schatterburg, G.N.20    more..
  • 48
    • 0000516140 scopus 로고
    • JPCHAX 0022-3654 10.1021/j100033a013.
    • A. Khan, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100033a013 99, 12450 (1995).
    • (1995) J. Phys. Chem. , vol.99 , pp. 12450
    • Khan, A.1
  • 49
    • 0000938260 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.473601, ();, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp983515+ 103, 1260 (1999), and references therein.
    • A. Khan, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473601 106, 5537 (1997); A. Khan, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp983515+ 103, 1260 (1999), and references therein.
    • (1997) J. Chem. Phys. , vol.106 , pp. 5537
    • Khan, A.1    Khan, A.2
  • 50
    • 0037154332 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1423942, ();, Eur. Phys. J. D EPJDF6 1434-6060 10.1140/epjd/e2003-00105-x 24, 53 (2003);, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp047502+ 108, 10518 (2004);, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp0655726 110, 11781 (2006).
    • C. J. Burnham and S. S. Xantheas, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1423942 116, 1500 (2002); P. Andersson, C. Steinbach, and U. Buck, Eur. Phys. J. D EPJDF6 1434-6060 10.1140/epjd/e2003-00105-x 24, 53 (2003); J. T. Su, X. Xu, and W. A. Goddard III, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp047502+ 108, 10518 (2004); S. Bulusu, S. Yoo, E. Aprá, S. Xantheas, and X. C. Zeng, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp0655726 110, 11781 (2006).
    • (2002) J. Chem. Phys. , vol.116 , pp. 1500
    • Burnham, C.J.1    Xantheas, S.S.2    Andersson, P.3    Steinbach, C.4    Buck, U.5    Su, J.T.6    Xu, X.7    Iii, A.G.W.8    Bulusu, S.9    Yoo, S.10    Aprá, E.11    Xantheas, S.12    Zeng, X.C.13
  • 51
    • 33749417445 scopus 로고
    • NATUAS 0028-0836 10.1038/216050a0, ();, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.73.975 73, 975 (1994);, J. Electroanal. Chem. JECHES 0022-0728 10.1016/S0022-0728(97)00649-9 450, 289 (1998);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1687315 120, 7123 (2004);, Mol. Simul. MOSIEA 0892-7022 10.1080/0892702500138483 31, 555 (2005).
    • J. Maybank and N. Barthakur, Nature (London) NATUAS 0028-0836 10.1038/216050a0 216, 50 (1967); I. M. Scishchev and P. G. Kusalik, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.73.975 73, 975 (1994); G. Sutmann, J. Electroanal. Chem. JECHES 0022-0728 10.1016/S0022-0728(97)00649-9 450, 289 (1998); R. Zangi and A. E. Mark, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1687315 120, 7123 (2004); S. Wei, C. Zhong, and H. Su-Yi, Mol. Simul. MOSIEA 0892-7022 10.1080/0892702500138483 31, 555 (2005).
    • (1967) Nature (London) , vol.216 , pp. 50
    • Maybank, J.1    Barthakur, N.2    Scishchev, I.M.3    Kusalik, P.G.4    Sutmann, G.5    Zangi, R.6    Mark, A.E.7    Wei, S.8    Zhong, C.9    Su-Yi, H.10
  • 52
    • 0009501831 scopus 로고
    • JPCHAX 0022-3654 10.1021/j100165a004, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478698 110, 7936 (1999);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1513311 117, 8926 (2002).
    • M. Watanabe, A. M. Brodsky, and W. P. Reinhardt, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100165a004 95, 4593 (1991); I.-C. Yeh and M. L. Berkowitz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478698 110, 7936 (1999); M. Girardi and W. Figueiredo, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1513311 117, 8926 (2002).
    • (1991) J. Phys. Chem. , vol.95 , pp. 4593
    • Watanabe, M.1    Brodsky, A.M.2    Reinhardt, W.P.3    Yeh, I.-C.4    Berkowitz, M.L.5    Girardi, M.6    Figueiredo, W.7
  • 53
    • 0035900244 scopus 로고    scopus 로고
    • THEODJ 0166-1280 10.1016/S0166-1280(00)00830-7, ();, J. Mol. Struct.: THEOCHEM THEODJ 0166-1280 10.1016/S0166-1280(02)00111-2 593, 19 (2002).
    • S. V. Schevkunov and A. Vegiri, J. Mol. Struct.: THEOCHEM THEODJ 0166-1280 10.1016/S0166-1280(00)00830-7 574, 27 (2001); S. V. Schevkunov and A. Vegiri, J. Mol. Struct.: THEOCHEM THEODJ 0166-1280 10.1016/S0166-1280(02)00111-2 593, 19 (2002).
    • (2001) J. Mol. Struct.: THEOCHEM , vol.574 , pp. 27
    • Schevkunov, S.V.1    Vegiri, A.2    Schevkunov, S.V.3    Vegiri, A.4
  • 54
    • 3643119869 scopus 로고    scopus 로고
    • LANGD5 0743-7463 10.1021/la951061r, ();, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp982623t 102, 10446 (1998);, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.67.063207 67, 063207 (2003);, Pure Appl. Chem. PACHAS 0033-4545 10.1351/pac200476010215 76, 215 (2004);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1796271 121, 7955 (2004);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2400853 125, 224302 (2006).
    • K. J. Schweighofer, X. Xia, and M. L. Berkowitz, Langmuir LANGD5 0743-7463 10.1021/la951061r 12, 3747 (1996); H. S. Mei, M. E. Tuckerman, D. E. Sagnella, and M. L. Klein, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp982623t 102, 10446 (1998); V. Kumarappan, M. Krishnamurthy, and D. Mathur, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.67.063207 67, 063207 (2003); A. Vegiri, Pure Appl. Chem. PACHAS 0033-4545 10.1351/pac200476010215 76, 215 (2004); S. Vaitheeswaran, J. C. Rasaiah, and G. Hummer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1796271 121, 7955 (2004); J. H. Rojas, B. S. González, T. James, and D. J. Wales, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2400853 125, 224302 (2006).
    • (1996) Langmuir , vol.12 , pp. 3747
    • Schweighofer, K.J.1    Xia, X.2    Berkowitz, M.L.3    Mei, H.S.4    Tuckerman, M.E.5    Sagnella, D.E.6    Klein, M.L.7    Kumarappan, V.8    Krishnamurthy, M.9    Mathur, D.10    Vegiri, A.11    Vaitheeswaran, S.12    Rasaiah, J.C.13    Hummer, G.14    Rojas, J.H.15    González, B.S.16    James, T.17    Wales, D.J.18
  • 55
    • 34447581335 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2173259.
    • Y. C. Choi, C. Pak, and K. S. Kim, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2173259 124, 094308 (2006).
    • (2006) J. Chem. Phys. , vol.124 , pp. 094308
    • Choi, Y.C.1    Pak, C.2    Kim, K.S.3
  • 56
    • 33846957776 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2429659.
    • T. James, D. J. Wales, and J. H. Rojas, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2429659 126, 054506 (2007).
    • (2007) J. Chem. Phys. , vol.126 , pp. 054506
    • James, T.1    Wales, D.J.2    Rojas, J.H.3
  • 57
    • 0000189651 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.464913.
    • A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 58
    • 0345491105 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.37.785.
    • C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
    • (1988) Phys. Rev. B , vol.37 , pp. 785
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 59
    • 0000606199 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/S0009-2614(98)01270-6.
    • C. E. Dykstra, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98) 01270-6 299, 132 (1999).
    • (1999) Chem. Phys. Lett. , vol.299 , pp. 132
    • Dykstra, C.E.1
  • 60
    • 0000020246 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.481505.
    • M. W. Mahoney and W. L. Jorgensen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481505 112, 8910 (2000).
    • (2000) J. Chem. Phys. , vol.112 , pp. 8910
    • Mahoney, M.W.1    Jorgensen, W.L.2
  • 61
    • 0035449892 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1388545.
    • A. Vegiri and S. V. Schevkunov, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1388545 115, 4175 (2001).
    • (2001) J. Chem. Phys. , vol.115 , pp. 4175
    • Vegiri, A.1    Schevkunov, S.V.2
  • 64
    • 0003802523 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.471921.
    • M. Kiselev and K. Heinzinger, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.471921 105, 650 (1996).
    • (1996) J. Chem. Phys. , vol.105 , pp. 650
    • Kiselev, M.1    Heinzinger, K.2
  • 66
    • 34047271051 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2647105.
    • S. J. Suresh, A. L. Prabhu, and A. Arora, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2647105 126, 134502 (2007).
    • (2007) J. Chem. Phys. , vol.126 , pp. 134502
    • Suresh, S.J.1    Prabhu, A.L.2    Arora, A.3
  • 67
    • 0348031808 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.466846.
    • S. S. Xantheas, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.466846 100, 7523 (1994).
    • (1994) J. Chem. Phys. , vol.100 , pp. 7523
    • Xantheas, S.S.1
  • 69
    • 33748549382 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2348866.
    • M. Girardia and W. Figueiredo, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2348866 125, 094508 (2006).
    • (2006) J. Chem. Phys. , vol.125 , pp. 094508
    • Girardia, M.1    Figueiredo, W.2


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