SCOPUS 정보 검색 플랫폼

Volumn 128, Issue 6, 2008, Pages

Investigation of the dominant hydration structures among the ionic species in aqueous solution: Novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation

(7) Takahashi, Hideaki a Ohno, Hajime a Yamauchi, Toshihiko a Kishi, Ryohei a Furukawa, Shin Ichi a Nakano, Masayoshi a Matubayasi, Nobuyuki b

a OSAKA UNIVERSITY (Japan)

b KYOTO UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON RESONANCE; ENTROPY; FREE ENERGY; HYDRATES; HYDROLYSIS; POSITIVE IONS; SOLVATION;

ENERGY REPRESENTATION (ER); HYDRATED COMPLEXES; WATER MOLECULES; ZUNDEL FORM;

QUANTUM CHEMISTRY;

HYDROXIDE; HYDROXIDE ION; PROTON; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; SOLUTION AND SOLUBILITY; THERMODYNAMICS;

COMPUTER SIMULATION; HYDROXIDES; MODELS, CHEMICAL; PROTONS; QUANTUM THEORY; SOLUTIONS; THERMODYNAMICS; WATER;

EID: 39349113448 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2825600 Document Type: Article

Times cited : (24)

References (60)

1
- 39349114664
- Water, a Comprehensive Treatise, edited by F. Franks (Plenum, New York), Vol.; (Plenum, New York, 1973), Vol. 2; (Plenum, New York, 1973), Vol. 3; (Plenum, New York, 1975), Vol. 4; (Plenum, New York, 1975), Vol. 5; (Plenum, New York, 1979), Vol. 6; (Plenum, New York, 1982), Vol. 7.
- Water, a Comprehensive Treatise, edited by, F. Franks, (Plenum, New York, 1972), Vol. 1; (Plenum, New York, 1973), Vol. 2; (Plenum, New York, 1973), Vol. 3; (Plenum, New York, 1975), Vol. 4; (Plenum, New York, 1975), Vol. 5; (Plenum, New York, 1979), Vol. 6; (Plenum, New York, 1982), Vol. 7.
- (1972) , vol.1

2
- 0001516474
- JPCBFK 1089-5647 10.1021/jp9911806.
- H. Sato and F. Hirata, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp9911806 103, 6596 (1999).
- (1999) J. Phys. Chem. B , vol.103 , pp. 6596
- Sato, H.¹ Hirata, F.²

3
- 0032557334
- CHPLBC 0009-2614 10.1016/S0009-2614(98)00286-3.
- B. L. Trout and M. Parrinello, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98)00286-3 288, 343 (1998).
- (1998) Chem. Phys. Lett. , vol.288 , pp. 343
- Trout, B.L.¹ Parrinello, M.²

4
- 20944432472
- JCPSA6 0021-9606 10.1063/1.1878712.
- T. Yagasaki, K. Iwahashi, S. Saito, and I. Ohmine, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1878712 122, 144504 (2005).
- (2005) J. Chem. Phys. , vol.122 , pp. 144504
- Yagasaki, T.¹ Iwahashi, K.² Saito, S.³ Ohmine, I.⁴

5
- 0035896410
- SCIEAS 0036-8075 10.1126/science.1056991.
- P. L. Geissler, C. Dellago, D. Chandler, J. Hutter, and M. Parrinello, Science SCIEAS 0036-8075 10.1126/science.1056991 291, 2121 (2001).
- (2001) Science , vol.291 , pp. 2121
- Geissler, P.L.¹ Dellago, C.² Chandler, D.³ Hutter, J.⁴ Parrinello, M.⁵

6
- 0037182850
- NATUAS 0028-0836 10.1038/nature00797.
- M. E. Tuckerman, D. Marx, and M. Parrinello, Nature (London) NATUAS 0028-0836 10.1038/nature00797 417, 925 (2002).
- (2002) Nature (London) , vol.417 , pp. 925
- Tuckerman, M.E.¹ Marx, D.² Parrinello, M.³

7
- 0031034836
- SCIEAS 0036-8075 10.1126/science.275.5301.817.
- M. E. Tuckerman, D. Marx, M. L. Klein, and M. Parrinello, Science SCIEAS 0036-8075 10.1126/science.275.5301.817 275, 817 (1997).
- (1997) Science , vol.275 , pp. 817
- Tuckerman, M.E.¹ Marx, D.² Klein, M.L.³ Parrinello, M.⁴

8
- 0033580290
- NATUAS 0028-0836 10.1038/17579.
- D. Marx, M. E. Tuckerman, J. Hutter, and M. Parrinello, Nature (London) NATUAS 0028-0836 10.1038/17579 397, 601 (1999).
- (1999) Nature (London) , vol.397 , pp. 601
- Marx, D.¹ Tuckerman, M.E.² Hutter, J.³ Parrinello, M.⁴

9
- 18744399310
- PNASA6 0027-8424 10.1073/pnas.0408071102.
- D. Asthagiri, L. R. Pratt, and J. D. Kress, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 10.1073/pnas.0408071102 102, 6704 (2005).
- (2005) Proc. Natl. Acad. Sci. U.S.A. , vol.102 , pp. 6704
- Asthagiri, D.¹ Pratt, L.R.² Kress, J.D.³

10
- 3142716193
- FRBIF6 1093-4715.
- G. A. Voth, Front. Biosci. FRBIF6 1093-4715 8, 1384 (2003).
- (2003) Front. Biosci. , vol.8 , pp. 1384
- Voth, G.A.¹

11
- 34249092919
- JPCBFK 1089-5647.
- J. M. J. Swanson, C. M. Maupin, H. Chen, M. K. Petersen, J. Xu, Y. Wu, and G. A. Voth, J. Phys. Chem. B JPCBFK 1089-5647 111, 4300 (2007).
- (2007) J. Phys. Chem. B , vol.111 , pp. 4300
- Swanson, J.M.J.¹ Maupin, C.M.² Chen, H.³ Petersen, M.K.⁴ Xu, J.⁵ Wu, Y.⁶ Voth, G.A.⁷

12
- 4243810035
- CHREAY 0009-2665 10.1021/cr00023a010.
- J. Åqvist and A. Warshel, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr00023a010 93, 2523 (1993).
- (1993) Chem. Rev. (Washington, D.C.) , vol.93 , pp. 2523
- Åqvist, J.¹ Warshel, A.²

13
- 0032548589
- CHPLBC 0009-2614 10.1016/S0009-2614(97)01365-1.
- R. Vuilleumier and D. Borgis, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(97)01365-1 284, 71 (1998).
- (1998) Chem. Phys. Lett. , vol.284 , pp. 71
- Vuilleumier, R.¹ Borgis, D.²

14
- 11644271492
- JPCBFK 1089-5647 10.1021/jp9818131.
- U. W. Schmitt and G. A. Voth, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp9818131 102, 5547 (1998).
- (1998) J. Phys. Chem. B , vol.102 , pp. 5547
- Schmitt, U.W.¹ Voth, G.A.²

15
- 0037159065
- JCPSA6 0021-9606 10.1063/1.1497157.
- T. J. F. Day, A. V. Soudackov, M. Cuma, U. W. Schmitt, and G. A. Voth, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1497157 117, 5839 (2002).
- (2002) J. Chem. Phys. , vol.117 , pp. 5839
- Day, T.J.F.¹ Soudackov, A.V.² Cuma, M.³ Schmitt, U.W.⁴ Voth, G.A.⁵

16
- 39349100401
- Modern Quantum Chemistry (Macmillan, New York).
- A. Szabo and N. S. Ostlund, Modern Quantum Chemistry (Macmillan, New York, 1982).
- (1982)
- Szabo, A.¹ Ostlund, N.S.²

17
- 84870726202
- Understanding Molecular Simulation (Academic, New York).
- D. Frenkel and B. Smit, Understanding Molecular Simulation (Academic, New York, 1996).
- (1996)
- Frenkel, D.¹ Smit, B.²

18
- 11744256643
- CHREAY 0009-2665 10.1021/cr00031a013.
- J. Tomasi and M. Persico, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr00031a013 94, 2027 (1994).
- (1994) Chem. Rev. (Washington, D.C.) , vol.94 , pp. 2027
- Tomasi, J.¹ Persico, M.²

19
- 0000627136
- JCPSA6 0021-9606 10.1063/1.478646.
- S. Ten-no, F. Hirata, and S. Kato, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478646 110, 7443 (1994).
- (1994) J. Chem. Phys. , vol.110 , pp. 7443
- Ten-No, S.¹ Hirata, F.² Kato, S.³

20
- 4243606192
- PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471.
- R. Car and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985).
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

21
- 39349114458
- Combined Quantum Mechanical and Molecular Mechanical Methods, edited by J. Gao and M. A. Thompson (American Chemical Society, Washington, DC).
- Combined Quantum Mechanical and Molecular Mechanical Methods, edited by, J. Gao, and, M. A. Thompson, (American Chemical Society, Washington, DC, 1998).
- (1998)

22
- 39349114866
- Combined QM/MM Calculations in Chemistry and Biochemistry, edited by M. F. Ruiz-Lopez, special issue of THEODJ 0166-1280.
- Combined QM/MM Calculations in Chemistry and Biochemistry, edited by, M. F. Ruiz-Lopez, special issue of J. Mol. Struct.: THEOCHEM THEODJ 0166-1280 632 (2003).
- (2003) J. Mol. Struct.: THEOCHEM , vol.632

23
- 0034335676
- CMLTAG 0366-7022.
- H. Takahashi, T. Hori, T. Wakabayashi, and T. Nitta, Chem. Lett. CMLTAG 0366-7022 2000, 222.
- Chem. Lett. , vol.2000 , pp. 222
- Takahashi, H.¹ Hori, T.² Wakabayashi, T.³ Nitta, T.⁴

24
- 0035799461
- JPCAFH 1089-5639 10.1021/jp004348s.
- H. Takahashi, T. Hori, T. Wakabayashi, and T. Nitta, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp004348s 105, 4351 (2001).
- (2001) J. Phys. Chem. A , vol.105 , pp. 4351
- Takahashi, H.¹ Hori, T.² Wakabayashi, T.³ Nitta, T.⁴

25
- 39349085473
- JCRGAE 0022-0248.
- H. Takahashi, T. Hori, H. Hashimoto, and T. Nitta, J. Cryst. Growth JCRGAE 0022-0248 22, 1252 (2003).
- (2003) J. Cryst. Growth , vol.22 , pp. 1252
- Takahashi, H.¹ Hori, T.² Hashimoto, H.³ Nitta, T.⁴

26
- 3843133047
- PRLTAO 0031-9007 10.1103/PhysRevLett.72.1240.
- J. R. Chelikowsky, N. Troullier, and Y. Saad, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.1240 72, 1240 (1994).
- (1994) Phys. Rev. Lett. , vol.72 , pp. 1240
- Chelikowsky, J.R.¹ Troullier, N.² Saad, Y.³

27
- 0001360121
- PRBMDO 0163-1829 10.1103/PhysRevB.50.11355.
- J. R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.11355 50, 11355 (1994).
- (1994) Phys. Rev. B , vol.50 , pp. 11355
- Chelikowsky, J.R.¹ Troullier, N.² Wu, K.³ Saad, Y.⁴

28
- 0000196211
- PRBMDO 0163-1829 10.1103/PhysRevB.50.12234.
- X. Jing, N. Troullier, D. Dean, N. Binggeli, J. R. Chelikowsky, K. Wu, and Y. Saad, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.12234 50, 12234 (1994).
- (1994) Phys. Rev. B , vol.50 , pp. 12234
- Jing, X.¹ Troullier, N.² Dean, D.³ Binggeli, N.⁴ Chelikowsky, J.R.⁵ Wu, K.⁶ Saad, Y.⁷

29
- 10644250257
- PRVBAK 0096-8269 10.1103/PhysRev.136.B864.
- P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
- (1964) Phys. Rev. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

30
- 0042113153
- PRVAAH 0096-8250 10.1103/PhysRev.140.A1133.
- W. Kohn and L. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.²

31
- 24344489065
- JTCCAC 0219-6336.
- T. Hori, H. Takahashi, and T. Nitta, J. Theor. Comput. Chem. JTCCAC 0219-6336 4, 867 (2005).
- (2005) J. Theor. Comput. Chem. , vol.4 , pp. 867
- Hori, T.¹ Takahashi, H.² Nitta, T.³

32
- 4644343956
- JCPSA6 0021-9606 10.1063/1.1774981.
- H. Takahashi, N. Matubayasi, T. Nitta, and M. Nakahara, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1774981 121, 3989 (2004).
- (2004) J. Chem. Phys. , vol.121 , pp. 3989
- Takahashi, H.¹ Matubayasi, N.² Nitta, T.³ Nakahara, M.⁴

33
- 0034294135
- JCPSA6 0021-9606 10.1063/1.1309013.
- N. Matubayasi and M. Nakahara, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1309013 113, 6070 (2000).
- (2000) J. Chem. Phys. , vol.113 , pp. 6070
- Matubayasi, N.¹ Nakahara, M.²

34
- 0037158526
- JCPSA6 0021-9606 10.1063/1.1495850, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1533752 118, 2446 (2003).
- N. Matubayasi and M. Nakahara, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1495850 117, 3605 (2002); N. Matubayasi and M. Nakahara, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1533752 118, 2446 (2003).
- (2002) J. Chem. Phys. , vol.117 , pp. 3605
- Matubayasi, N.¹ Nakahara, M.² Matubayasi, N.³ Nakahara, M.⁴

35
- 0345529905
- JCPSA6 0021-9606 10.1063/1.1613938.
- N. Matubayasi and M. Nakahara, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1613938 119, 9686 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 9686
- Matubayasi, N.¹ Nakahara, M.²

36
- 39349090889
- Theory of Simple Liquids (Academic, London).
- J. P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic, London, 1986).
- (1986)
- Hansen, J.P.¹ McDonald, I.R.²

37
- 0037472679
- JCCHDD 0192-8651 10.1002/jcc.10134.
- T. Hori, H. Takahashi, and T. Nitta, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.10134 24, 209 (2002).
- (2002) J. Comput. Chem. , vol.24 , pp. 209
- Hori, T.¹ Takahashi, H.² Nitta, T.³

38
- 84962439089
- JMOSB4 0022-2860.
- H. Takahashi, S. Takei, T. Hori, and T. Nitta, J. Mol. Struct. JMOSB4 0022-2860 632, 185 (2003).
- (2003) J. Mol. Struct. , vol.632 , pp. 185
- Takahashi, H.¹ Takei, S.² Hori, T.³ Nitta, T.⁴

39
- 0242321256
- JCPSA6 0021-9606 10.1063/1.1610440.
- H. Takahashi, H. Hashimoto, and T. Nitta, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1610440 119, 7964 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 7964
- Takahashi, H.¹ Hashimoto, H.² Nitta, T.³

40
- 0242509299
- JCPSA6 0021-9606 10.1063/1.1611175.
- T. Hori, H. Takahashi, and T. Nitta, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1611175 119, 8492 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 8492
- Hori, T.¹ Takahashi, H.² Nitta, T.³

41
- 22944491213
- JCPSA6 0021-9606 10.1063/1.1839858.
- H. Takahashi, W. Satou, T. Hori, and T. Nitta, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1839858 122, 044504 (2005).
- (2005) J. Chem. Phys. , vol.122 , pp. 044504
- Takahashi, H.¹ Satou, W.² Hori, T.³ Nitta, T.⁴

42
- 26044444932
- JCPSA6 0021-9606 10.1063/1.1866095.
- H. Takahashi, Y. Kawashima, and T. Nitta, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1866095 122, 124504 (2005).
- (2005) J. Chem. Phys. , vol.122 , pp. 124504
- Takahashi, H.¹ Kawashima, Y.² Nitta, T.³

43
- 33846985328
- JPCBFK 1089-5647.
- T. Hori, H. Takahashi, S. Furukawa, M. Nakano, and W. Yang, J. Phys. Chem. B JPCBFK 1089-5647 111, 581 (2007).
- (2007) J. Phys. Chem. B , vol.111 , pp. 581
- Hori, T.¹ Takahashi, H.² Furukawa, S.³ Nakano, M.⁴ Yang, W.⁵

44
- 33847680430
- JCPSA6 0021-9606 10.1063/1.2566834.
- H. Takahashi, K. Tanabe, M. Aketa, R. Kishi, S. Furukawa, and M. Nakano, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2566834 126, 084508 (2007).
- (2007) J. Chem. Phys. , vol.126 , pp. 084508
- Takahashi, H.¹ Tanabe, K.² Aketa, M.³ Kishi, R.⁴ Furukawa, S.⁵ Nakano, M.⁶

45
- 31544465471
- CHPLBC 0009-2614 10.1016/j.cplett.2005.11.096.
- T. Hori, H. Takahashi, M. Nakano, T. Nitta, and W. Yang, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2005.11.096 419, 240 (2005).
- (2005) Chem. Phys. Lett. , vol.419 , pp. 240
- Hori, T.¹ Takahashi, H.² Nakano, M.³ Nitta, T.⁴ Yang, W.⁵

46
- 39349112079
- GAUSSIAN 03, Revision B.05, Gaussian, Inc., Pittsburgh, PA.
- M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision B.05, Gaussian, Inc., Pittsburgh, PA, 2003.
- (2003)
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

47
- 0000189651
- 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

48
- 0345491105
- 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

49
- 33746614482
- JCPSA6 0021-9606 10.1063/1.456153.
- T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456153 90, 1007 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning Jr., T.H.¹

50
- 0001161603
- PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425.
- L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
- (1982) Phys. Rev. Lett. , vol.48 , pp. 1425
- Kleinman, L.¹ Bylander, D.M.²

51
- 18344384486
- PRLTAO 0031-9007 10.1103/PhysRevLett.82.5016.
- T. Ono and K. Hirose, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.5016 82, 5016 (1999).
- (1999) Phys. Rev. Lett. , vol.82 , pp. 5016
- Ono, T.¹ Hirose, K.²

52
- 0001496730
- PRBMDO 0163-1829 10.1103/PhysRevB.48.2081.
- R. N. Barnett and U. Landman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.2081 48, 2081 (1993).
- (1993) Phys. Rev. B , vol.48 , pp. 2081
- Barnett, R.N.¹ Landman, U.²

53
- 0004016501
- JCPSA6 0021-9606 10.1063/1.445869.
- W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.445869 79, 926 (1983).
- (1983) J. Chem. Phys. , vol.79 , pp. 926
- Jorgensen, W.L.¹ Chandrasekhar, J.² Madura, J.D.³ Impey, R.W.⁴ Klein, M.L.⁵

54
- 0000009663
- P. Ewald, Ann. Phys. 64, 253 (1921).
- (1921) Ann. Phys. , vol.64 , pp. 253
- Ewald, P.¹

55
- 34250928962
- ZEPYAA 0044-3328 10.1007/BF01881023.
- M. Born, Z. Phys. ZEPYAA 0044-3328 10.1007/BF01881023 1, 45 (1920).
- (1920) Z. Phys. , vol.1 , pp. 45
- Born, M.¹

56
- 33846423482
- JCPSA6 0021-9606 10.1063/1.2428299.
- W. Amir, G. Gallot, F. Hache, S. Bratos, J.-C. Leicknam, and R. Vuilleumier, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2428299 126, 034511 (2007).
- (2007) J. Chem. Phys. , vol.126 , pp. 034511
- Amir, W.¹ Gallot, G.² Hache, F.³ Bratos, S.⁴ Leicknam, J.-C.⁵ Vuilleumier, R.⁶

57
- 8344275198
- JCPSA6 0021-9606 10.1063/1.1801031, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2212421 125, 014508 (2006).
- A. Botti, F. Bruni, S. Imberti, M. A. Ricci, and A. K. Soper, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1801031 121, 7840 (2004); A. Botti, F. Bruni, M. A. Ricci, and A. K. Soper, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2212421 125, 014508 (2006).
- (2004) J. Chem. Phys. , vol.121 , pp. 7840
- Botti, A.¹ Bruni, F.² Imberti, S.³ Ricci, M.A.⁴ Soper, A.K.⁵ Botti, A.⁶ Bruni, F.⁷ Ricci, M.A.⁸ Soper, A.K.⁹

58
- 0034318882
- JCPSA6 0021-9606 10.1063/1.1319636.
- C. Kobayashi, S. Saito, and I. Ohmine, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1319636 113, 9090 (2000).
- (2000) J. Chem. Phys. , vol.113 , pp. 9090
- Kobayashi, C.¹ Saito, S.² Ohmine, I.³

59
- 33845285554
- JCPSA6 0021-9606 10.1063/1.2363383.
- J. Mrázek and J. V. Burda, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2363383 125, 194518 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 194518
- Mrázek, J.¹ Burda, J.V.²

60
- 84961980743
- JCPKBH 0300-9580.
- A. Klamt and G. Schuurmann, J. Chem. Soc., Perkin Trans. 2 JCPKBH 0300-9580 1993, 799.
- J. Chem. Soc., Perkin Trans. 2 , vol.1993 , pp. 799
- Klamt, A.¹ Schuurmann, G.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.