SCOPUS 정보 검색 플랫폼

Journal of Computational Chemistry

Volumn 35, Issue 8, 2014, Pages 657-671

Explicit proton transfer in classical molecular dynamics simulations

(2) Wolf, Maarten G a Groenhof, Gerrit a,b

a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY (Germany)

b UNIVERSITY OF JYVÄSKYLÄ (Finland)

Author keywords

dynamics; excess proton; force field; MC; molecular dynamics; proton transfer

Indexed keywords

PROTON; WATER;

ARTICLE; CHEMISTRY; EXCESS PROTON; FORCE FIELD; MC; MOLECULAR DYNAMICS; PROTON TRANSPORT; THERMODYNAMICS; Λ-DYNAMICS;

EXCESS PROTON; FORCE FIELD; MC; MOLECULAR DYNAMICS; PROTON TRANSFER; Λ-DYNAMICS;

MOLECULAR DYNAMICS SIMULATION; PROTONS; THERMODYNAMICS; WATER;

EID: 84894264773 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23536 Document Type: Article

Times cited : (37)

References (90)

1
- 77951245193
- D. Marx, A. Chandra, M. Tuckerman, Chem. Rev. 2010, 110, 2174.
- (2010) Chem. Rev. , vol.110 , pp. 2174
- Marx, D.¹ Chandra, A.² Tuckerman, M.³

2
- 33748969865
- D. Marx, ChemPhysChem 2006, 7, 1848.
- (2006) ChemPhysChem , vol.7 , pp. 1848
- Marx, D.¹

3
- 84879086750
- X. Wu, W. Thiel, S. Pezeshki, H. Lin, J. Chem. Theory Comput. 2013, 9, 2672.
- (2013) J. Chem. Theory Comput. , vol.9 , pp. 2672
- Wu, X.¹ Thiel, W.² Pezeshki, S.³ Lin, H.⁴

4
- 79958088797
- P. Goyal, M. Elstner, Q. Cui, J. Phys. Chem. B 2011, 115, 6790.
- (2011) J. Phys. Chem. B , vol.115 , pp. 6790
- Goyal, P.¹ Elstner, M.² Cui, Q.³

5
- 33749173166
- P. Intharathep, A. Tongraar, K. Sagarik, J. Comput. Chem. 2006, 27, 1723.
- (2006) J. Comput. Chem. , vol.27 , pp. 1723
- Intharathep, P.¹ Tongraar, A.² Sagarik, K.³

6
- 0043141259
- A. Warshel, R. M. Weiss, J. Am. Chem. Soc. 1980, 102, 6218.
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 6218
- Warshel, A.¹ Weiss, R.M.²

7
- 7644225147
- R. Vuilleumier, D. Borgis, J. Mol. Struct. 1997, 436-437, 555.
- (1997) J. Mol. Struct. , vol.436-437 , pp. 555
- Vuilleumier, R.¹ Borgis, D.²

8
- 0001213767
- U. Schmitt, G. Voth, J. Chem. Phys. 1999, 111, 9361.
- (1999) J. Chem. Phys. , vol.111 , pp. 9361
- Schmitt, U.¹ Voth, G.²

9
- 0037159065
- T. J. F. Day, A. V. Soudackov, M. Cuma, U. W. Schmitt, G. A. Voth, J. Chem. Phys. 2002, 117, 5839.
- (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

10
- 38749111812
- Y. Wu, H. Chen, F. Wang, F. Paesani, G. Voth, J. Phys. Chem. B 2008, 112, 467.
- (2008) J. Phys. Chem. B , vol.112 , pp. 467
- Wu, Y.¹ Chen, H.² Wang, F.³ Paesani, F.⁴ Voth, G.⁵

11
- 20844444009
- F. Wang, G. A. Voth, J. Chem. Phys. 2005, 122, 144105.
- (2005) J. Chem. Phys. , vol.122 , pp. 144105
- Wang, F.¹ Voth, G.A.²

12
- 42149097339
- S. Lammers, S. Lutz, M. Meuwly, J. Comput. Chem. 2008, 29, 1048.
- (2008) J. Comput. Chem. , vol.29 , pp. 1048
- Lammers, S.¹ Lutz, S.² Meuwly, M.³

13
- 35548979486
- D. W. M. Hofmann, L. Kuleshova, B. D'Aguanno, Chem. Phys. Lett. 2007, 448, 138.
- (2007) Chem. Phys. Lett. , vol.448 , pp. 138
- Hofmann, D.W.M.¹ Kuleshova, L.² D'Aguanno, B.³

14
- 84867804104
- S. Kale, J. Herzfeld, Angew. Chem. Int. Ed. Engl. 2012, 51, 11029.
- (2012) Angew. Chem. Int. Ed. Engl. , vol.51 , pp. 11029
- Kale, S.¹ Herzfeld, J.²

15
- 84876497018
- G. K. Lockwood, S. H. Garofalini, J. Phys. Chem. B 2013, 117, 4089.
- (2013) J. Phys. Chem. B , vol.117 , pp. 4089
- Lockwood, G.K.¹ Garofalini, S.H.²

16
- 80755181758
- S. Kale, J. Herzfeld, S. Dai, M. Blank, J. Biol. Phys. 2012, 38, 49.
- (2012) J. Biol. Phys. , vol.38 , pp. 49
- Kale, S.¹ Herzfeld, J.² Dai, S.³ Blank, M.⁴

17
- 0000958735
- R. Schmidt, J. Brickmann, Ber. Bunsen-Ges. Phys. Chem. Chem. Phys. 1997, 101, 1816.
- (1997) Ber. Bunsen-Ges. Phys. Chem. Chem. Phys. , vol.101 , pp. 1816
- Schmidt, R.¹ Brickmann, J.²

18
- 0035504327
- M. Lill, V. Helms, J. Chem. Phys. 2001, 115, 7993.
- (2001) J. Chem. Phys. , vol.115 , pp. 7993
- Lill, M.¹ Helms, V.²

19
- 77955326111
- M. Selvan, D. Keffer, S. Cui, S. Paddison, J. Phys. Chem. C 2010, 114, 11965.
- (2010) J. Phys. Chem. C , vol.114 , pp. 11965
- Selvan, M.¹ Keffer, D.² Cui, S.³ Paddison, S.⁴

20
- 0001692244
- X. Kong, C. Brooks, III, J. Chem. Phys. 1996, 105, 2414.
- (1996) J. Chem. Phys. , vol.105 , pp. 2414
- Kong, X.¹ Brooks III, C.²

21
- 0033580290
- D. Marx, M. Tuckerman, J. Hutter, M. Parrinello, Nature 1999, 397, 601.
- (1999) Nature , vol.397 , pp. 601
- Marx, D.¹ Tuckerman, M.² Hutter, J.³ Parrinello, M.⁴

22
- 49649120885
- O. Markovitch, H. Chen, S. Izvekov, F. Paesani, G. Voth, N. Agmon, J. Phys. Chem. B 2008, 112, 9456.
- (2008) J. Phys. Chem. B , vol.112 , pp. 9456
- Markovitch, O.¹ Chen, H.² Izvekov, S.³ Paesani, F.⁴ Voth, G.⁵ Agmon, N.⁶

23
- 78751651854
- J. Xu, Y. Zhang, G. Voth, Phys. Chem. Lett. 2011, 2, 81.
- (2011) Phys. Chem. Lett. , vol.2 , pp. 81
- Xu, J.¹ Zhang, Y.² Voth, G.³

24
- 65249172519
- J. Swanson, J. Simons, J. Phys. Chem. B. 2009, 113, 5149.
- (2009) J. Phys. Chem. B. , vol.113 , pp. 5149
- Swanson, J.¹ Simons, J.²

25
- 33645682031
- S. Woutersen, H. Bakker, Phys. Rev. Lett. 2006, 96, 138305.
- (2006) Phys. Rev. Lett. , vol.96 , pp. 138305
- Woutersen, S.¹ Bakker, H.²

26
- 33745541710
- J. Heuft, H. Meijer, Phys. Chem. Chem. Phys. 2006, 8, 3116.
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 3116
- Heuft, J.¹ Meijer, H.²

27
- 46849086145
- V. Buch, A. Dubrovski, F. Mohamed, M. Parrinello, J. Sadlej, A. Hammerich, J. Devlin, J. Phys. Chem. A 2008, 112, 2144.
- (2008) J. Phys. Chem. A , vol.112 , pp. 2144
- Buch, V.¹ Dubrovski, A.² Mohamed, F.³ Parrinello, M.⁴ Sadlej, J.⁵ Hammerich, A.⁶ Devlin, J.⁷

28
- 0000135791
- M. Tuckerman, K. Laasonen, M. Sprik, M. Parrinello, J. Chem. Phys. 1995, 103, 150.
- (1995) J. Chem. Phys. , vol.103 , pp. 150
- Tuckerman, M.¹ Laasonen, K.² Sprik, M.³ Parrinello, M.⁴

29
- 33846423482
- W. Amir, G. Gallot, F. Hache, S. Bratos, J.-C. Lecknam, R. Vuilleumier, J. Chem. Phys. 2007, 126, 034511.
- (2007) J. Chem. Phys. , vol.126 , pp. 034511
- Amir, W.¹ Gallot, G.² Hache, F.³ Bratos, S.⁴ Lecknam, J.-C.⁵ Vuilleumier, R.⁶

30
- 0034299590
- C. Ciobanu, L. Ojamäe, I. Shavitt, S. Singer, J. Chem. Phys. 2000, 113, 5321.
- (2000) J. Chem. Phys. , vol.113 , pp. 5321
- Ciobanu, C.¹ Ojamäe, L.² Shavitt, I.³ Singer, S.⁴

31
- 0037039513
- J. Kim, U. Schmitt, J. Gruetzmacher, G. Voth, N. Scherer, J. Chem. Phys. 2002, 116, 737.
- (2002) J. Chem. Phys. , vol.116 , pp. 737
- Kim, J.¹ Schmitt, U.² Gruetzmacher, J.³ Voth, G.⁴ Scherer, N.⁵

32
- 66049112726
- K. Tielrooij, R. Timmer, H. Bakker, M. Bonn, Phys. Rev. Lett. 2009, 102, 198303.
- (2009) Phys. Rev. Lett. , vol.102 , pp. 198303
- Tielrooij, K.¹ Timmer, R.² Bakker, H.³ Bonn, M.⁴

33
- 8344275198
- A. Botti, F. Bruni, S. Imberti, M. Ricci, A. Soper, J. Chem. Phys. 2004, 121, 7840.
- (2004) J. Chem. Phys. , vol.121 , pp. 7840
- Botti, A.¹ Bruni, F.² Imberti, S.³ Ricci, M.⁴ Soper, A.⁵

34
- 76149097541
- E. Stoyanov, I. Stoyanova, C. Reed, J. Am. Chem. Soc. 2010, 132, 1484.
- (2010) J. Am. Chem. Soc. , vol.132 , pp. 1484
- Stoyanov, E.¹ Stoyanova, I.² Reed, C.³

35
- 41549083240
- M. Śmiechowski, J. Stangret, J. Mol. Struct. 2008, 878, 104.
- (2008) J. Mol. Struct. , vol.878 , pp. 104
- Śmiechowski, M.¹ Stangret, J.²

36
- 18744399310
- D. Asthagiri, L. Pratt, J. Kress, Proc. Natl. Acad. Sci. USA 2005, 102, 6704.
- (2005) Proc. Natl. Acad. Sci. USA , vol.102 , pp. 6704
- Asthagiri, D.¹ Pratt, L.² Kress, J.³

37
- 33745784797
- A. Botti, F. Bruni, M. Ricci, A. Soper, J. Chem. Phys. 2006, 125, 014508.
- (2006) J. Chem. Phys. , vol.125 , pp. 014508
- Botti, A.¹ Bruni, F.² Ricci, M.³ Soper, A.⁴

38
- 33846460399
- B. Kirchner, ChemPhysChem 2007, 8, 41.
- (2007) ChemPhysChem , vol.8 , pp. 41
- Kirchner, B.¹

39
- 22944484741
- H. Lapid, N. Agmon, M. Petersen, G. Voth, J. Chem. Phys. 2005, 122, 014506.
- (2005) J. Chem. Phys. , vol.122 , pp. 014506
- Lapid, H.¹ Agmon, N.² Petersen, M.³ Voth, G.⁴

40
- 70849128249
- T. Berkelbach, H. Lee, M. Tuckerman, Phys. Rev. Lett. 2009, 103, 238302.
- (2009) Phys. Rev. Lett. , vol.103 , pp. 238302
- Berkelbach, T.¹ Lee, H.² Tuckerman, M.³

41
- 63849088573
- H.-S. Lee, M. E. Tuckerman, J. Phys. Chem. A 2009, 113, 2144.
- (2009) J. Phys. Chem. A , vol.113 , pp. 2144
- Lee, H.-S.¹ Tuckerman, M.E.²

42
- 65249088579
- S. Iuchi, H. Chen, F. Paesani, G. A. Voth, J. Phys. Chem. B 2009, 113, 4017.
- (2009) J. Phys. Chem. B , vol.113 , pp. 4017
- Iuchi, S.¹ Chen, H.² Paesani, F.³ Voth, G.A.⁴

43
- 84894235203
- (submitted).
- J. Hub, B. Groot, H. Grubmüller, G. Groenhof, (submitted).
- Hub, J.¹ Groot, B.² Grubmüller, H.³ Groenhof, G.⁴

44
- 46249092554
- B. Hess, C. Kutzner, D. van der Spoel, E. Lindahl, J. Chem. Theory Comput. 2008, 4, 435.
- (2008) J. Chem. Theory Comput. , vol.4 , pp. 435
- Hess, B.¹ Kutzner, C.² Van Der Spoel, D.³ Lindahl, E.⁴

45
- 33646471468
- J. G. Kirkwood, J. Chem. Phys. 1935, 3, 300.
- (1935) J. Chem. Phys. , vol.3 , pp. 300
- Kirkwood, J.G.¹

46
- 79959283736
- S. Donnini, F. Tegeler, G. Groenhof, H. Grubmüller, J. Chem. Theory Comput. 2011, 7, 1962.
- (2011) J. Chem. Theory Comput. , vol.7 , pp. 1962
- Donnini, S.¹ Tegeler, F.² Groenhof, G.³ Grubmüller, H.⁴

47
- 36749107785
- H. Andersen, J. Chem. Phys. 1980, 72, 2384.
- (1980) J. Chem. Phys. , vol.72 , pp. 2384
- Andersen, H.¹

48
- 26044474888
- F. Calvo, J. Chem. Phys. 2005, 123, 124106.
- (2005) J. Chem. Phys. , vol.123 , pp. 124106
- Calvo, F.¹

49
- 0001585978
- K. Feenstra, B. Hess, H. Berendsen, J. Comput. Chem. 1999, 20, 786.
- (1999) J. Comput. Chem. , vol.20 , pp. 786
- Feenstra, K.¹ Hess, B.² Berendsen, H.³

50
- 0004016501
- W. Jorgensen, J. Chandrasekhar, J. Madura, R. Impey, M. Klein, J. Chem. Phys. 1983, 79, 926.
- (1983) J. Chem. Phys. , vol.79 , pp. 926
- Jorgensen, W.¹ Chandrasekhar, J.² Madura, J.³ Impey, R.⁴ Klein, M.⁵

51
- 1242346370
- H. Berendsen, J. Grigera, T. Straatsma, J. Phys. Chem. 1987, 91, 6269.
- (1987) J. Phys. Chem. , vol.91 , pp. 6269
- Berendsen, H.¹ Grigera, J.² Straatsma, T.³

52
- 30344482264
- G. Lamoureux, E. Harder, I. Vorobyov, B. Roux, A. M. MacKerell, Jr., Chem. Phys. Lett. 2006, 418, 245.
- (2006) Chem. Phys. Lett. , vol.418 , pp. 245
- Lamoureux, G.¹ Harder, E.² Vorobyov, I.³ Roux, B.⁴ Mackerell, Jr.A.M.⁵

53
- 33646940952
- J. Ryckaert, G. Ciccotti, H. Berendsen, J. Comput. Phys. 1977, 23, 327.
- (1977) J. Comput. Phys. , vol.23 , pp. 327
- Ryckaert, J.¹ Ciccotti, G.² Berendsen, H.³

54
- 30444444184
- S. Miyamoto, P. A. Kollman, J. Comput. Chem. 1992, 18, 1463.
- (1992) J. Comput. Chem. , vol.18 , pp. 1463
- Miyamoto, S.¹ Kollman, P.A.²

55
- 33846086933
- G. Bussi, D. Donadio, M. Parrinello, J. Chem. Phys. 2007, 126, 014101.
- (2007) J. Chem. Phys. , vol.126 , pp. 014101
- Bussi, G.¹ Donadio, D.² Parrinello, M.³

56
- 33750587438
- H. Berendsen, J. Postma, W. van Gunsteren, A. DiNola, J. Haak, J. Chem. Phys. 1984, 81, 3684.
- (1984) J. Chem. Phys. , vol.81 , pp. 3684
- Berendsen, H.¹ Postma, J.² Van Gunsteren, W.³ Dinola, A.⁴ Haak, J.⁵

57
- 33846823909
- T. Darden, D. York, L. Pedersen, J. Chem. Phys. 1993, 98, 10089.
- (1993) J. Chem. Phys. , vol.98 , pp. 10089
- Darden, T.¹ York, D.² Pedersen, L.³

58
- 33645961739
- U. Essmann, L. Perera, M. Berkowitz, T. Darden, H. Lee, L. Pedersen, J. Chem. Phys. 1995, 103, 8577.
- (1995) J. Chem. Phys. , vol.103 , pp. 8577
- Essmann, U.¹ Perera, L.² Berkowitz, M.³ Darden, T.⁴ Lee, H.⁵ Pedersen, L.⁶

59
- 0000189651
- A. Becke, J. Chem. Phys. 1993, 98, 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.¹

60
- 4243553426
- A. Becke, Phys. Rev. 1988, 38, 3098.
- (1988) Phys. Rev. , vol.38 , pp. 3098
- Becke, A.¹

61
- 0345491105
- C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785.
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

62
- 33746614482
- T. H. Dunning, Jr., J. Chem. Phys. 1989, 90, 1007.
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning, Jr.T.H.¹

63
- 4143095330
- R. A. Kendall, T. H. Dunning, Jr., R. J. Harrison, J. Chem. Phys. 1992, 96, 6796.
- (1992) J. Chem. Phys. , vol.96 , pp. 6796
- Kendall, R.A.¹ Dunning, Jr.T.H.² Harrison, R.J.³

64
- 0041536947
- A. K. Wilson, T. van Mourik, T. H. Dunning, Jr., J. Mol. Struct: THEOCHEM 1997, 388, 339.
- (1997) J. Mol. Struct: THEOCHEM , vol.388 , pp. 339
- Wilson, A.K.¹ Van Mourik, T.² Dunning, Jr.T.H.³

65
- 0012919270
- C. Moller, M. Plesset, Phys. Rev. 1934, 46, 619.
- (1934) Phys. Rev. , vol.46 , pp. 619
- Moller, C.¹ Plesset, M.²

66
- 0000244199
- J. A. Pople, R. Krishnan, H. B. Schlegel, J. S. Binkley, Int. J. Quantum Chem. Symp. 1979, 13, 325.
- (1979) Int. J. Quantum Chem. Symp. , vol.13 , pp. 325
- Pople, J.A.¹ Krishnan, R.² Schlegel, H.B.³ Binkley, J.S.⁴

67
- 0141509423
- A. D. McLean, G. S. Chandler, J. Chem. Phys. 1980, 72, 5639.
- (1980) J. Chem. Phys. , vol.72 , pp. 5639
- McLean, A.D.¹ Chandler, G.S.²

68
- 26844534384
- R. Krishnan, J. S. Binkley, R. Seeger, J. A. Pople, J. Chem. Phys. 1980, 72, 650.
- (1980) J. Chem. Phys. , vol.72 , pp. 650
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

69
- 84986468715
- T. Clark, J. Chandrasekhar, G. Spitznagel, P. Schleyer, J. Comput. Chem. 1983, 4, 294.
- (1983) J. Comput. Chem. , vol.4 , pp. 294
- Clark, T.¹ Chandrasekhar, J.² Spitznagel, G.³ Schleyer, P.⁴

70
- 36549091139
- M. J. Frisch, J. A. Pople, J. S. Binkley, J. Chem. Phys. 1984, 80, 3265.
- (1984) J. Chem. Phys. , vol.80 , pp. 3265
- Frisch, M.J.¹ Pople, J.A.² Binkley, J.S.³

71
- 84987143265
- R. J. Bartlett, G. D. Purvis, Int. J. Quantum Chem. 1978, 14, 561.
- (1978) Int. J. Quantum Chem. , vol.14 , pp. 561
- Bartlett, R.J.¹ Purvis, G.D.²

72
- 84890021933
- S. F. Boys, F. Bernardi, Mol. Phys. 1970, 19, 553.
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

74
- 33947484719
- Z. Luz, S. Meiboom, J. Am. Chem. Soc. 1964, 86, 4768.
- (1964) J. Am. Chem. Soc. , vol.86 , pp. 4768
- Luz, Z.¹ Meiboom, S.²

75
- 37049106425
- B. Halle, G. Karlström, J. Chem. Soc. Faraday Trans. 2 1983, 79, 1031.
- (1983) J. Chem. Soc. Faraday Trans. 2 , vol.79 , pp. 1031
- Halle, B.¹ Karlström, G.²

76
- 37049138934
- N. Roberts, H. Northey, J. Chem. Soc. Faraday Trans. 1 1972, 68, 1528.
- (1972) J. Chem. Soc. Faraday Trans. 1 , vol.68 , pp. 1528
- Roberts, N.¹ Northey, H.²

77
- 0042936805
- R. Mills, J. Phys. Chem. 1973, 77, 685.
- (1973) J. Phys. Chem. , vol.77 , pp. 685
- Mills, R.¹

78
- 80052491233
- C. D. Wick, O. T. Cummings, Chem. Phys. Lett. 2011, 513, 161.
- (2011) Chem. Phys. Lett. , vol.513 , pp. 161
- Wick, C.D.¹ Cummings, O.T.²

79
- 4243606192
- R. Car, M. Parrinello, Phys. Rev. Lett. 1985, 55, 2471.
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

80
- 1542779956
- M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, G. Seifert, Phys. Rev. B 1998, 58, 7260.
- (1998) Phys. Rev. B , vol.58 , pp. 7260
- Elstner, M.¹ Porezag, D.² Jungnickel, G.³ Elsner, J.⁴ Haugk, M.⁵ Frauenheim, T.⁶ Suhai, S.⁷ Seifert, G.⁸

81
- 33748283200
- M. Elstner, Theor. Chem. Acc. 2006, 116, 316.
- (2006) Theor. Chem. Acc. , vol.116 , pp. 316
- Elstner, M.¹

82
- 24444468650
- M. Dewar, W. Thiel, J. Am. Chem. Soc. 1977, 99, 4899.
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 4899
- Dewar, M.¹ Thiel, W.²

83
- 0842341771
- M. Dewar, E. Zoebisch, E. Healy, J. Stewart, J. Am. Chem. Soc. 1985, 107, 3902.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902
- Dewar, M.¹ Zoebisch, E.² Healy, E.³ Stewart, J.⁴

84
- 84988129057
- J. Stewart, J. Comput. Chem. 1989, 10, 209.
- (1989) J. Comput. Chem. , vol.10 , pp. 209
- Stewart, J.¹

85
- 84988073214
- J. Stewart, J. Comput. Chem. 1989, 10, 221.
- (1989) J. Comput. Chem. , vol.10 , pp. 221
- Stewart, J.¹

86
- 84913599757
- M. Kolb, W. Thiel, J. Comput. Chem. 1993, 14, 775.
- (1993) J. Comput. Chem. , vol.14 , pp. 775
- Kolb, M.¹ Thiel, W.²

87
- 0034389977
- W. Weber, W. Thiel, Theor. Chem. Acc. 2000, 103, 495.
- (2000) Theor. Chem. Acc. , vol.103 , pp. 495
- Weber, W.¹ Thiel, W.²

88
- 77952687068
- C. M. Maupin, B. Aradi, G. A. Voth, J. Phys. Chem. B 2010, 114, 6922.
- (2010) J. Phys. Chem. B , vol.114 , pp. 6922
- Maupin, C.M.¹ Aradi, B.² Voth, G.A.³

89
- 77952678644
- T. H. Choi, K. D. Jordan, J. Phys. Chem. B 2010, 114, 6932.
- (2010) J. Phys. Chem. B , vol.114 , pp. 6932
- Choi, T.H.¹ Jordan, K.D.²

90
- 84894267467
- (submitted)
- M. Wolf, H. Grubmüller, G. Groenhof, (submitted).
- Wolf, M.¹ Grubmüller, H.² Groenhof, G.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.