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Volumn 18, Issue 26-27, 2004, Pages 1327-1345

Theoretical study of neutral dipolar atom in water: Structure, spectroscopy and formation of an excitonic state

Author keywords

Excitonic state; Hydrated neutral atom; Molecular dynamics; Solvated electron

Indexed keywords

ANALYTIC METHOD; CHEMICAL REACTION; DIPOLE; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; NUCLEAR PHYSICS; QUANTUM MECHANICS; REACTION ANALYSIS; REDUCTION; SHORT SURVEY; SOLVATION; THEORETICAL STUDY; THERMODYNAMICS;

EID: 12544257408     PISSN: 02179849     EISSN: None     Source Type: Journal    
DOI: 10.1142/s0217984904007827     Document Type: Short Survey
Times cited : (2)

References (79)
  • 1
    • 0010884753 scopus 로고
    • R. A. Marcus, J. Chem. Phys. 24 (1956) 966; R. A. Marcus and N. Sutin, Biochim. Biophys. Acta 811 (1985) 265; M. D. Newton and N. Sutin Ann. Rev. Phys. Chem. 35 (1984) 437.
    • (1956) J. Chem. Phys. , vol.24 , pp. 966
    • Marcus, R.A.1
  • 2
    • 0022004980 scopus 로고
    • R. A. Marcus, J. Chem. Phys. 24 (1956) 966; R. A. Marcus and N. Sutin, Biochim. Biophys. Acta 811 (1985) 265; M. D. Newton and N. Sutin Ann. Rev. Phys. Chem. 35 (1984) 437.
    • (1985) Biochim. Biophys. Acta , vol.811 , pp. 265
    • Marcus, R.A.1    Sutin, N.2
  • 3
    • 0010884753 scopus 로고
    • R. A. Marcus, J. Chem. Phys. 24 (1956) 966; R. A. Marcus and N. Sutin, Biochim. Biophys. Acta 811 (1985) 265; M. D. Newton and N. Sutin Ann. Rev. Phys. Chem. 35 (1984) 437.
    • (1984) Ann. Rev. Phys. Chem. , vol.35 , pp. 437
    • Newton, M.D.1    Sutin, N.2
  • 4
    • 0003617060 scopus 로고
    • The Study of Fast Processes and Transient Species by Electron Pulse Radiolysis
    • D. Reidel Publishing Co., Dordrecht
    • J. H. Baxendale and F. Busi, The Study of Fast Processes and Transient Species by Electron Pulse Radiolysis, NATO ASI Ser. 86 (D. Reidel Publishing Co., Dordrecht, 1982).
    • (1982) NATO ASI Ser. 86
    • Baxendale, J.H.1    Busi, F.2
  • 5
    • 12544250294 scopus 로고
    • E. J. Kirschke and W. L. Jolly, Inorg. Chem. 6 (1967) 866; O. H. Leblanc, J. Chem. Phys. 30 (1959) 1443; J. Belloni, G. van Amerongen, M. Herlem, J. L. Sculfort and R. Heindl, J. Phys. Chem. 84 (1980) 1269; R. Laenen and T. Roth, J. Mol. Struct. 598 (2001) 37.
    • (1967) Inorg. Chem. , vol.6 , pp. 866
    • Kirschke, E.J.1    Jolly, W.L.2
  • 6
    • 12544259969 scopus 로고
    • E. J. Kirschke and W. L. Jolly, Inorg. Chem. 6 (1967) 866; O. H. Leblanc, J. Chem. Phys. 30 (1959) 1443; J. Belloni, G. van Amerongen, M. Herlem, J. L. Sculfort and R. Heindl, J. Phys. Chem. 84 (1980) 1269; R. Laenen and T. Roth, J. Mol. Struct. 598 (2001) 37.
    • (1959) J. Chem. Phys. , vol.30 , pp. 1443
    • Leblanc, O.H.1
  • 7
  • 8
    • 0035980699 scopus 로고    scopus 로고
    • E. J. Kirschke and W. L. Jolly, Inorg. Chem. 6 (1967) 866; O. H. Leblanc, J. Chem. Phys. 30 (1959) 1443; J. Belloni, G. van Amerongen, M. Herlem, J. L. Sculfort and R. Heindl, J. Phys. Chem. 84 (1980) 1269; R. Laenen and T. Roth, J. Mol. Struct. 598 (2001) 37.
    • (2001) J. Mol. Struct. , vol.598 , pp. 37
    • Laenen, R.1    Roth, T.2
  • 11
    • 33749993207 scopus 로고
    • J. Jortner, J. Chem. Phys. 27 (1957) 823; ibid. 30 (1959) 839.
    • (1959) J. Chem. Phys. , vol.30 , pp. 839
  • 12
    • 0000027152 scopus 로고
    • E. J. Hart, B. D. Michael and K. H. Schmidt, J. Phys. Chem. 75 (1971) 2798; H. Christensen and K. Sehested, ibid. 90 (1986) 186; G. Wu, Y. Katsumura, Y. Muroya, X. Li and Y. Terada, Chem. Phys. Lett. 325 (2000) 531.
    • (1971) J. Phys. Chem. , vol.75 , pp. 2798
    • Hart, E.J.1    Michael, B.D.2    Schmidt, K.H.3
  • 13
    • 0347054119 scopus 로고
    • E. J. Hart, B. D. Michael and K. H. Schmidt, J. Phys. Chem. 75 (1971) 2798; H. Christensen and K. Sehested, ibid. 90 (1986) 186; G. Wu, Y. Katsumura, Y. Muroya, X. Li and Y. Terada, Chem. Phys. Lett. 325 (2000) 531.
    • (1986) J. Phys. Chem. , vol.90 , pp. 186
    • Christensen, H.1    Sehested, K.2
  • 14
    • 0001147073 scopus 로고    scopus 로고
    • E. J. Hart, B. D. Michael and K. H. Schmidt, J. Phys. Chem. 75 (1971) 2798; H. Christensen and K. Sehested, ibid. 90 (1986) 186; G. Wu, Y. Katsumura, Y. Muroya, X. Li and Y. Terada, Chem. Phys. Lett. 325 (2000) 531.
    • (2000) Chem. Phys. Lett. , vol.325 , pp. 531
    • Wu, G.1    Katsumura, Y.2    Muroya, Y.3    Li, X.4    Terada, Y.5
  • 15
    • 4244068247 scopus 로고
    • A. Migus, Y. Gaudel, J. L. Martin and A. Antonetti, Phys. Rev. Lett. 58 (1987) 1559; F. H. Long, H. Lu and K. B. Eisenthal, ibid. 64 (1990) 1469; C. Silva, P. K. Walhout, K. Yokoyama and P. F. Barbara, ibid. 80 (1998) 1086; M. Assel, R. Laenen and A. Laubereau, J. Chem. Phys. 111 (1999) 6869; M. Assel, R. Laenen and A. Laubereau, J. Phys. Chem. A102 (1998) 2256; M. Assel, R. Laenen and A. Laubereau, Chem. Phys. Lett. 317 (2000) 13.
    • (1987) Phys. Rev. Lett. , vol.58 , pp. 1559
    • Migus, A.1    Gaudel, Y.2    Martin, J.L.3    Antonetti, A.4
  • 16
    • 0007621485 scopus 로고
    • A. Migus, Y. Gaudel, J. L. Martin and A. Antonetti, Phys. Rev. Lett. 58 (1987) 1559; F. H. Long, H. Lu and K. B. Eisenthal, ibid. 64 (1990) 1469; C. Silva, P. K. Walhout, K. Yokoyama and P. F. Barbara, ibid. 80 (1998) 1086; M. Assel, R. Laenen and A. Laubereau, J. Chem. Phys. 111 (1999) 6869; M. Assel, R. Laenen and A. Laubereau, J. Phys. Chem. A102 (1998) 2256; M. Assel, R. Laenen and A. Laubereau, Chem. Phys. Lett. 317 (2000) 13.
    • (1990) Phys. Rev. Lett. , vol.64 , pp. 1469
    • Long, F.H.1    Lu, H.2    Eisenthal, K.B.3
  • 17
    • 0011697069 scopus 로고    scopus 로고
    • A. Migus, Y. Gaudel, J. L. Martin and A. Antonetti, Phys. Rev. Lett. 58 (1987) 1559; F. H. Long, H. Lu and K. B. Eisenthal, ibid. 64 (1990) 1469; C. Silva, P. K. Walhout, K. Yokoyama and P. F. Barbara, ibid. 80 (1998) 1086; M. Assel, R. Laenen and A. Laubereau, J. Chem. Phys. 111 (1999) 6869; M. Assel, R. Laenen and A. Laubereau, J. Phys. Chem. A102 (1998) 2256; M. Assel, R. Laenen and A. Laubereau, Chem. Phys. Lett. 317 (2000) 13.
    • (1998) Phys. Rev. Lett. , vol.80 , pp. 1086
    • Silva, C.1    Walhout, P.K.2    Yokoyama, K.3    Barbara, P.F.4
  • 18
    • 0001308747 scopus 로고    scopus 로고
    • A. Migus, Y. Gaudel, J. L. Martin and A. Antonetti, Phys. Rev. Lett. 58 (1987) 1559; F. H. Long, H. Lu and K. B. Eisenthal, ibid. 64 (1990) 1469; C. Silva, P. K. Walhout, K. Yokoyama and P. F. Barbara, ibid. 80 (1998) 1086; M. Assel, R. Laenen and A. Laubereau, J. Chem. Phys. 111 (1999) 6869; M. Assel, R. Laenen and A. Laubereau, J. Phys. Chem. A102 (1998) 2256; M. Assel, R. Laenen and A. Laubereau, Chem. Phys. Lett. 317 (2000) 13.
    • (1999) J. Chem. Phys. , vol.111 , pp. 6869
    • Assel, M.1    Laenen, R.2    Laubereau, A.3
  • 19
    • 0001377047 scopus 로고    scopus 로고
    • A. Migus, Y. Gaudel, J. L. Martin and A. Antonetti, Phys. Rev. Lett. 58 (1987) 1559; F. H. Long, H. Lu and K. B. Eisenthal, ibid. 64 (1990) 1469; C. Silva, P. K. Walhout, K. Yokoyama and P. F. Barbara, ibid. 80 (1998) 1086; M. Assel, R. Laenen and A. Laubereau, J. Chem. Phys. 111 (1999) 6869; M. Assel, R. Laenen and A. Laubereau, J. Phys. Chem. A102 (1998) 2256; M. Assel, R. Laenen and A. Laubereau, Chem. Phys. Lett. 317 (2000) 13.
    • (1998) J. Phys. Chem. , vol.A102 , pp. 2256
    • Assel, M.1    Laenen, R.2    Laubereau, A.3
  • 20
    • 0002355396 scopus 로고    scopus 로고
    • A. Migus, Y. Gaudel, J. L. Martin and A. Antonetti, Phys. Rev. Lett. 58 (1987) 1559; F. H. Long, H. Lu and K. B. Eisenthal, ibid. 64 (1990) 1469; C. Silva, P. K. Walhout, K. Yokoyama and P. F. Barbara, ibid. 80 (1998) 1086; M. Assel, R. Laenen and A. Laubereau, J. Chem. Phys. 111 (1999) 6869; M. Assel, R. Laenen and A. Laubereau, J. Phys. Chem. A102 (1998) 2256; M. Assel, R. Laenen and A. Laubereau, Chem. Phys. Lett. 317 (2000) 13.
    • (2000) Chem. Phys. Lett. , vol.317 , pp. 13
    • Assel, M.1    Laenen, R.2    Laubereau, A.3
  • 21
    • 0001282613 scopus 로고
    • T. H. Murphey and P. J. Rossky, J. Chem. Phys. 99 (1993) 515; B. J. Schwartz and P. J. Rossky, ibid. 101 (1994) 6902; ibid. 101 (1994) 6917; Phys. Rev. Lett. 72 (1994) 3282; A. Staib and D. Borgis, J. Chem. Phys. 103 (1995) 2642; D. Borgis and S. Bratos, J. Mol. Struct. 436-7 (1997) 537; M. Boero, M. Parrinello, K. Terakura, T. Ikeshoji and C. C. Liew, Phys. Rev. Lett. 90 (2003) 226403.
    • (1993) J. Chem. Phys. , vol.99 , pp. 515
    • Murphey, T.H.1    Rossky, P.J.2
  • 22
    • 0008960224 scopus 로고
    • T. H. Murphey and P. J. Rossky, J. Chem. Phys. 99 (1993) 515; B. J. Schwartz and P. J. Rossky, ibid. 101 (1994) 6902; ibid. 101 (1994) 6917; Phys. Rev. Lett. 72 (1994) 3282; A. Staib and D. Borgis, J. Chem. Phys. 103 (1995) 2642; D. Borgis and S. Bratos, J. Mol. Struct. 436-7 (1997) 537; M. Boero, M. Parrinello, K. Terakura, T. Ikeshoji and C. C. Liew, Phys. Rev. Lett. 90 (2003) 226403.
    • (1994) J. Chem. Phys. , vol.101 , pp. 6902
    • Schwartz, B.J.1    Rossky, P.J.2
  • 23
    • 0008892324 scopus 로고
    • T. H. Murphey and P. J. Rossky, J. Chem. Phys. 99 (1993) 515; B. J. Schwartz and P. J. Rossky, ibid. 101 (1994) 6902; ibid. 101 (1994) 6917; Phys. Rev. Lett. 72 (1994) 3282; A. Staib and D. Borgis, J. Chem. Phys. 103 (1995) 2642; D. Borgis and S. Bratos, J. Mol. Struct. 436-7 (1997) 537; M. Boero, M. Parrinello, K. Terakura, T. Ikeshoji and C. C. Liew, Phys. Rev. Lett. 90 (2003) 226403.
    • (1994) J. Chem. Phys. , vol.101 , pp. 6917
  • 24
    • 0010063693 scopus 로고
    • T. H. Murphey and P. J. Rossky, J. Chem. Phys. 99 (1993) 515; B. J. Schwartz and P. J. Rossky, ibid. 101 (1994) 6902; ibid. 101 (1994) 6917; Phys. Rev. Lett. 72 (1994) 3282; A. Staib and D. Borgis, J. Chem. Phys. 103 (1995) 2642; D. Borgis and S. Bratos, J. Mol. Struct. 436-7 (1997) 537; M. Boero, M. Parrinello, K. Terakura, T. Ikeshoji and C. C. Liew, Phys. Rev. Lett. 90 (2003) 226403.
    • (1994) Phys. Rev. Lett. , vol.72 , pp. 3282
  • 25
    • 0009241240 scopus 로고
    • T. H. Murphey and P. J. Rossky, J. Chem. Phys. 99 (1993) 515; B. J. Schwartz and P. J. Rossky, ibid. 101 (1994) 6902; ibid. 101 (1994) 6917; Phys. Rev. Lett. 72 (1994) 3282; A. Staib and D. Borgis, J. Chem. Phys. 103 (1995) 2642; D. Borgis and S. Bratos, J. Mol. Struct. 436-7 (1997) 537; M. Boero, M. Parrinello, K. Terakura, T. Ikeshoji and C. C. Liew, Phys. Rev. Lett. 90 (2003) 226403.
    • (1995) J. Chem. Phys. , vol.103 , pp. 2642
    • Staib, A.1    Borgis, D.2
  • 26
    • 10044267627 scopus 로고    scopus 로고
    • T. H. Murphey and P. J. Rossky, J. Chem. Phys. 99 (1993) 515; B. J. Schwartz and P. J. Rossky, ibid. 101 (1994) 6902; ibid. 101 (1994) 6917; Phys. Rev. Lett. 72 (1994) 3282; A. Staib and D. Borgis, J. Chem. Phys. 103 (1995) 2642; D. Borgis and S. Bratos, J. Mol. Struct. 436-7 (1997) 537; M. Boero, M. Parrinello, K. Terakura, T. Ikeshoji and C. C. Liew, Phys. Rev. Lett. 90 (2003) 226403.
    • (1997) J. Mol. Struct. , vol.436-437 , pp. 537
    • Borgis, D.1    Bratos, S.2
  • 27
    • 0038115241 scopus 로고    scopus 로고
    • T. H. Murphey and P. J. Rossky, J. Chem. Phys. 99 (1993) 515; B. J. Schwartz and P. J. Rossky, ibid. 101 (1994) 6902; ibid. 101 (1994) 6917; Phys. Rev. Lett. 72 (1994) 3282; A. Staib and D. Borgis, J. Chem. Phys. 103 (1995) 2642; D. Borgis and S. Bratos, J. Mol. Struct. 436-7 (1997) 537; M. Boero, M. Parrinello, K. Terakura, T. Ikeshoji and C. C. Liew, Phys. Rev. Lett. 90 (2003) 226403.
    • (2003) Phys. Rev. Lett. , vol.90 , pp. 226403
    • Boero, M.1    Parrinello, M.2    Terakura, K.3    Ikeshoji, T.4    Liew, C.C.5
  • 29
    • 0011119469 scopus 로고
    • eds. J. P. Keene, A. Swallow and J. H. Baxendale Academic Press, London
    • J. H. Baxendale, E. M. Fielden, J. P. Keene and M. Ebert, in Pulse Radiolysis, eds. J. P. Keene, A. Swallow and J. H. Baxendale (Academic Press, London, 1965), pp. 207-220; R. Tausch-Treml, A. Henglein and J. Lilie, Ber. Bunsenges. Phys. Chem. 82 (1978) 1343; J. Von Pukies, W. Roebke and A. Henglein, ibid. 72 (1968) 842; M. Mostafavi, J. L. Marignier, J. Amblard and J. Belloni, Radiat. Phys. Chem. 34 (1989) 605.
    • (1965) Pulse Radiolysis , pp. 207-220
    • Baxendale, J.H.1    Fielden, E.M.2    Keene, J.P.3    Ebert, M.4
  • 30
    • 0011088820 scopus 로고
    • J. H. Baxendale, E. M. Fielden, J. P. Keene and M. Ebert, in Pulse Radiolysis, eds. J. P. Keene, A. Swallow and J. H. Baxendale (Academic Press, London, 1965), pp. 207-220; R. Tausch-Treml, A. Henglein and J. Lilie, Ber. Bunsenges. Phys. Chem. 82 (1978) 1343; J. Von Pukies, W. Roebke and A. Henglein, ibid. 72 (1968) 842; M. Mostafavi, J. L. Marignier, J. Amblard and J. Belloni, Radiat. Phys. Chem. 34 (1989) 605.
    • (1978) Ber. Bunsenges. Phys. Chem. , vol.82 , pp. 1343
    • Tausch-Treml, R.1    Henglein, A.2    Lilie, J.3
  • 31
    • 0000067430 scopus 로고
    • J. H. Baxendale, E. M. Fielden, J. P. Keene and M. Ebert, in Pulse Radiolysis, eds. J. P. Keene, A. Swallow and J. H. Baxendale (Academic Press, London, 1965), pp. 207-220; R. Tausch-Treml, A. Henglein and J. Lilie, Ber. Bunsenges. Phys. Chem. 82 (1978) 1343; J. Von Pukies, W. Roebke and A. Henglein, ibid. 72 (1968) 842; M. Mostafavi, J. L. Marignier, J. Amblard and J. Belloni, Radiat. Phys. Chem. 34 (1989) 605.
    • (1968) Ber. Bunsenges. Phys. Chem. , vol.72 , pp. 842
    • Von Pukies, J.1    Roebke, W.2    Henglein, A.3
  • 32
    • 0024906169 scopus 로고
    • J. H. Baxendale, E. M. Fielden, J. P. Keene and M. Ebert, in Pulse Radiolysis, eds. J. P. Keene, A. Swallow and J. H. Baxendale (Academic Press, London, 1965), pp. 207-220; R. Tausch-Treml, A. Henglein and J. Lilie, Ber. Bunsenges. Phys. Chem. 82 (1978) 1343; J. Von Pukies, W. Roebke and A. Henglein, ibid. 72 (1968) 842; M. Mostafavi, J. L. Marignier, J. Amblard and J. Belloni, Radiat. Phys. Chem. 34 (1989) 605.
    • (1989) Radiat. Phys. Chem. , vol.34 , pp. 605
    • Mostafavi, M.1    Marignier, J.L.2    Amblard, J.3    Belloni, J.4
  • 33
    • 0042163700 scopus 로고
    • P. Mulvaney and A. Henglein, Chem. Phys. Lett. 168 (1990) 391; E. Janata, A. Henglein and B. G. Ershov, J. Phys. Chem. 98 (1994) 10888; E. Janata, J. Lilie and M. Martin, Radiat. Phys. Chem. 43 (1994) 353.
    • (1990) Chem. Phys. Lett. , vol.168 , pp. 391
    • Mulvaney, P.1    Henglein, A.2
  • 34
    • 0001144651 scopus 로고
    • P. Mulvaney and A. Henglein, Chem. Phys. Lett. 168 (1990) 391; E. Janata, A. Henglein and B. G. Ershov, J. Phys. Chem. 98 (1994) 10888; E. Janata, J. Lilie and M. Martin, Radiat. Phys. Chem. 43 (1994) 353.
    • (1994) J. Phys. Chem. , vol.98 , pp. 10888
    • Janata, E.1    Henglein, A.2    Ershov, B.G.3
  • 35
    • 0028409862 scopus 로고
    • P. Mulvaney and A. Henglein, Chem. Phys. Lett. 168 (1990) 391; E. Janata, A. Henglein and B. G. Ershov, J. Phys. Chem. 98 (1994) 10888; E. Janata, J. Lilie and M. Martin, Radiat. Phys. Chem. 43 (1994) 353.
    • (1994) Radiat. Phys. Chem. , vol.43 , pp. 353
    • Janata, E.1    Lilie, J.2    Martin, M.3
  • 37
    • 0004234202 scopus 로고
    • W. Hafner and F. Hensel, Phys. Rev. Lett. 48 (1982) 1026; L. A. Turkevich and M. H. Cohen, ibid. 53 (1984) 2323; L. A. Turkevich and M. H. Cohen, J. Phys. Chem. 88 (1984) 3751.
    • (1982) Phys. Rev. Lett. , vol.48 , pp. 1026
    • Hafner, W.1    Hensel, F.2
  • 38
    • 3343024541 scopus 로고
    • W. Hafner and F. Hensel, Phys. Rev. Lett. 48 (1982) 1026; L. A. Turkevich and M. H. Cohen, ibid. 53 (1984) 2323; L. A. Turkevich and M. H. Cohen, J. Phys. Chem. 88 (1984) 3751.
    • (1984) Phys. Rev. Lett. , vol.53 , pp. 2323
    • Turkevich, L.A.1    Cohen, M.H.2
  • 39
    • 0342936144 scopus 로고
    • W. Hafner and F. Hensel, Phys. Rev. Lett. 48 (1982) 1026; L. A. Turkevich and M. H. Cohen, ibid. 53 (1984) 2323; L. A. Turkevich and M. H. Cohen, J. Phys. Chem. 88 (1984) 3751.
    • (1984) J. Phys. Chem. , vol.88 , pp. 3751
    • Turkevich, L.A.1    Cohen, M.H.2
  • 40
    • 0022463470 scopus 로고
    • D. E. Logan and P. P. Edwards, Philos. Mag. B53 (1986) L23; D. E. Logan and P. P. Edwards, Ber. Bunsenges. Phys. Chem. 90 (1986) 575.
    • (1986) Philos. Mag. , vol.B53
    • Logan, D.E.1    Edwards, P.P.2
  • 45
    • 12544258528 scopus 로고
    • P. F. Meier, R. H. Hauge and J. L. Margrave, J. Am. Chem. Soc. 100 (1978) 2108; R. Catterali and P. P. Edward, Chem. Phys. Lett. 42 (1976) 540.
    • (1976) Chem. Phys. Lett. , vol.42 , pp. 540
    • Catterali, R.1    Edward, P.P.2
  • 51
    • 4243606192 scopus 로고    scopus 로고
    • R. Car and M. Parrinello, Phys. Rev. Lett. 55 (1985) 2471; J. Hutter, A. Alavi, T. Deutsch, M. Bernasconi, S. Goedecker, D. Marx, M. Tuckerman and M. Parrinello, CPMD version 3.5, MPI Solid State Research Institute in Stuttgart and the IBM Research Laboratory, Zurich (2000).
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
    • Car, R.1    Parrinello, M.2
  • 54
    • 0021757436 scopus 로고
    • BIOMOS, Biomolecular Software, Laboratory of Physical Chemistry, University of Groeningen, The Netherlands
    • S. J. Weiner, P. A. Kollman, D. A. Case, U. C. Singh, C. Ghio, G. Alagona, S. Profeta and P. Weiner, J. Am. Chem. Soc. 106 (1984) 765; W. F. van Guensteren and H. J. C. Berendsen. Gromos Manual, BIOMOS, Biomolecular Software, Laboratory of Physical Chemistry, University of Groeningen, The Netherlands (1988).
    • (1988) Gromos Manual
    • Van Guensteren, W.F.1    Berendsen, H.J.C.2
  • 59
    • 36549099665 scopus 로고
    • R. N. Barnett, U. Landman and C. L. Cleveland, J. Chem. Phys. 88 (1988) 4421; ibid. 88 (1988) 4429; R. N. Barnett, U. Landman and A. Nitzan, ibid. 90 (1989) 4413.
    • (1988) J. Chem. Phys. , vol.88 , pp. 4429
  • 60
    • 0000685451 scopus 로고
    • R. N. Barnett, U. Landman and C. L. Cleveland, J. Chem. Phys. 88 (1988) 4421; ibid. 88 (1988) 4429; R. N. Barnett, U. Landman and A. Nitzan, ibid. 90 (1989) 4413.
    • (1989) J. Chem. Phys. , vol.90 , pp. 4413
    • Barnett, R.N.1    Landman, U.2    Nitzan, A.3
  • 63
    • 34547564932 scopus 로고
    • J. Hellmann, Einführung in die Quantenchemie (Deuticke, Leipzig, 1937); R. P. Feynman, Phys. Rev. 56 (1939) 340.
    • (1939) Phys. Rev. , vol.56 , pp. 340
    • Feynman, R.P.1
  • 65
    • 34547809547 scopus 로고
    • S. Nosé, J. Chem. Phys. 81 (1984) 511; W. G. Hoover, Phys. Rev. A31 (1985) 1695.
    • (1984) J. Chem. Phys. , vol.81 , pp. 511
    • Nosé, S.1
  • 66
    • 0001538909 scopus 로고
    • S. Nosé, J. Chem. Phys. 81 (1984) 511; W. G. Hoover, Phys. Rev. A31 (1985) 1695.
    • (1985) Phys. Rev. , vol.A31 , pp. 1695
    • Hoover, W.G.1
  • 75
    • 0001074080 scopus 로고
    • H. J. Kim and J. T. Hynes, J. Phys. Chem. 94 (1990) 2736; J. Chem. Phys. 93 (1990) 5194; ibid. 93 (1990) 5211; ibid. 96 (1990) 5088.
    • (1990) J. Phys. Chem. , vol.94 , pp. 2736
    • Kim, H.J.1    Hynes, J.T.2
  • 76
    • 84962439196 scopus 로고
    • H. J. Kim and J. T. Hynes, J. Phys. Chem. 94 (1990) 2736; J. Chem. Phys. 93 (1990) 5194; ibid. 93 (1990) 5211; ibid. 96 (1990) 5088.
    • (1990) J. Chem. Phys. , vol.93 , pp. 5194
  • 77
    • 0001203249 scopus 로고
    • H. J. Kim and J. T. Hynes, J. Phys. Chem. 94 (1990) 2736; J. Chem. Phys. 93 (1990) 5194; ibid. 93 (1990) 5211; ibid. 96 (1990) 5088.
    • (1990) J. Chem. Phys. , vol.93 , pp. 5211
  • 78
    • 0001074080 scopus 로고
    • H. J. Kim and J. T. Hynes, J. Phys. Chem. 94 (1990) 2736; J. Chem. Phys. 93 (1990) 5194; ibid. 93 (1990) 5211; ibid. 96 (1990) 5088.
    • (1990) J. Chem. Phys. , vol.96 , pp. 5088


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