SCOPUS 정보 검색 플랫폼

Journal of Chemical Theory and Computation

Volumn 9, Issue 11, 2013, Pages 4844-4852

Many-body convergence of the electrostatic properties of water

(2) Medders, Gregory R a Paesani, Francesco a

a UNIVERSITY OF CALIFORNIA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84887850366 PISSN: 15499618 EISSN: 15499626 Source Type: Journal
DOI: 10.1021/ct400696d Document Type: Article

Times cited : (31)

References (74)

1
- 33750286994
- Chaplin, M. Nature Rev. Mol. Cell Bio. 2006, 7, 861-866
- (2006) Nature Rev. Mol. Cell Bio. , vol.7 , pp. 861-866
- Chaplin, M.¹

2
- 38849196324
- Ball, P. Chem. Rev. 2008, 108, 74-108
- (2008) Chem. Rev. , vol.108 , pp. 74-108
- Ball, P.¹

3
- 0000032549
- Dash, J. G.; Fu, H.; Wettlaufer, J. S. Rep. Prog. Phys. 1995, 58, 115-167
- (1995) Rep. Prog. Phys. , vol.58 , pp. 115-167
- Dash, J.G.¹ Fu, H.² Wettlaufer, J.S.³

4
- 84859903365
- Jubb, A. M.; Hua, W.; Allen, H. C. Annu. Rev. Phys. Chem. 2012, 63, 107-130
- (2012) Annu. Rev. Phys. Chem. , vol.63 , pp. 107-130
- Jubb, A.M.¹ Hua, W.² Allen, H.C.³

5
- 43949119107
- Jungwirth, P.; Winter, B. Annu. Rev. Phys. Chem. 2008, 59, 343-366
- (2008) Annu. Rev. Phys. Chem. , vol.59 , pp. 343-366
- Jungwirth, P.¹ Winter, B.²

6
- 43049122273
- Rasaiah, J. C.; Garde, S.; Hummer, G. Annu. Rev. Phys. Chem. 2008, 59, 713-740
- (2008) Annu. Rev. Phys. Chem. , vol.59 , pp. 713-740
- Rasaiah, J.C.¹ Garde, S.² Hummer, G.³

7
- 0000414359
- Ricci, M. A.; Bruni, F.; Gallo, P.; Rovere, M.; Soper, A. K. J. Phys.: Condens. Matter 2000, 12, A345-A350
- (2000) J. Phys.: Condens. Matter , vol.12
- Ricci, M.A.¹ Bruni, F.² Gallo, P.³ Rovere, M.⁴ Soper, A.K.⁵

8
- 84864841048
- Cirera, J.; Sung, J.; Howland, P. B.; Paesani, F. J. Chem. Phys. 2012, 137, 054704
- (2012) J. Chem. Phys. , vol.137 , pp. 054704
- Cirera, J.¹ Sung, J.² Howland, P.B.³ Paesani, F.⁴

9
- 85133493682
- Elsevier: Amsterdam.
- Maréchal, Y. The Hydrogen Bond and the Water Molecule: The Physics and Chemistry of Water, Aqueous and Bio-Media; Elsevier: Amsterdam, 2006.
- (2006) The Hydrogen Bond and the Water Molecule: The Physics and Chemistry of Water, Aqueous and Bio-Media
- Maréchal, Y.¹

10
- 0003502032
- Oxford University Press: Oxford.
- Mukamel, S. Principles of Nonlinear Optical Spectroscopy; Oxford University Press: Oxford, 1995.
- (1995) Principles of Nonlinear Optical Spectroscopy
- Mukamel, S.¹

11
- 0003770889
- Oxford University Press: Oxford.
- Stone, A. J. Theory of Intermolecular Forces; Oxford University Press: Oxford, 1997.
- (1997) Theory of Intermolecular Forces
- Stone, A.J.¹

12
- 84878060743
- Matsuzaki, K.; Nihonyanagi, S.; Yamaguchi, S.; Nagata, T.; Tahara, T. J. Phys. Chem. Lett. 2013, 4, 1654-1658
- (2013) J. Phys. Chem. Lett. , vol.4 , pp. 1654-1658
- Matsuzaki, K.¹ Nihonyanagi, S.² Yamaguchi, S.³ Nagata, T.⁴ Tahara, T.⁵

13
- 36649021120
- Xie, W.; Gao, J. J. Chem. Theory Comput. 2007, 3, 1890-1900
- (2007) J. Chem. Theory Comput. , vol.3 , pp. 1890-1900
- Xie, W.¹ Gao, J.²

14
- 47249085107
- Xie, W.; Song, L.; Truhlar, D. G.; Gao, J. J. Chem. Phys. 2008, 128, 234108
- (2008) J. Chem. Phys. , vol.128 , pp. 234108
- Xie, W.¹ Song, L.² Truhlar, D.G.³ Gao, J.⁴

15
- 34548786766
- Gordon, M. S.; Slipchenko, L.; Li, H.; Jensen, J. H. Annu. Rep. Comput. Chem. 2007, 3, 177-193
- (2007) Annu. Rep. Comput. Chem. , vol.3 , pp. 177-193
- Gordon, M.S.¹ Slipchenko, L.² Li, H.³ Jensen, J.H.⁴

16
- 0348031808
- Xantheas, S. S. J. Chem. Phys. 1994, 100, 7523-7534
- (1994) J. Chem. Phys. , vol.100 , pp. 7523-7534
- Xantheas, S.S.¹

17
- 33751158658
- Ojamie, L.; Hermansson, K. J. Phys. Chem. 1994, 98, 4271-4282
- (1994) J. Phys. Chem. , vol.98 , pp. 4271-4282
- Ojamie, L.¹ Hermansson, K.²

18
- 0001759977
- Pedulla, J. M.; Vila, F.; Jordan, K. D. J. Chem. Phys. 1996, 105, 11091
- (1996) J. Chem. Phys. , vol.105 , pp. 11091
- Pedulla, J.M.¹ Vila, F.² Jordan, K.D.³

19
- 0031273937
- Hodges, M. P.; Stone, A. J.; Xantheas, S. S. J. Phys. Chem. A 1997, 101, 9163-9168
- (1997) J. Phys. Chem. A , vol.101 , pp. 9163-9168
- Hodges, M.P.¹ Stone, A.J.² Xantheas, S.S.³

20
- 0034662896
- Xantheas, S. S. Chem. Phys. 2000, 258, 225-231
- (2000) Chem. Phys. , vol.258 , pp. 225-231
- Xantheas, S.S.¹

21
- 33749596551
- Cui, J.; Liu, H.; Jordan, K. D. J. Phys. Chem. B 2006, 110, 18872-18878
- (2006) J. Phys. Chem. B , vol.110 , pp. 18872-18878
- Cui, J.¹ Liu, H.² Jordan, K.D.³

22
- 34547575510
- Hermann, A.; Krawczyk, R.; Lein, M.; Schwerdtfeger, P.; Hamilton, I.; Stewart, J. Phys. Rev. A 2007, 76, 013202
- (2007) Phys. Rev. A , vol.76 , pp. 013202
- Hermann, A.¹ Krawczyk, R.² Lein, M.³ Schwerdtfeger, P.⁴ Hamilton, I.⁵ Stewart, J.⁶

23
- 83755186616
- Góra, U.; Podeszwa, R.; Cencek, W.; Szalewicz, K. J. Chem. Phys. 2011, 135, 224102
- (2011) J. Chem. Phys. , vol.135 , pp. 224102
- Góra, U.¹ Podeszwa, R.² Cencek, W.³ Szalewicz, K.⁴

24
- 84867921349
- Khaliullin, R. Z.; Cobar, E. A.; Lochan, R. C.; Bell, A. T.; Head-Gordon, M. Phys. Chem. Chem. Phys. 2012, 14, 15328-15339
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 15328-15339
- Khaliullin, R.Z.¹ Cobar, E.A.² Lochan, R.C.³ Bell, A.T.⁴ Head-Gordon, M.⁵

25
- 0037202626
- Morita, A. J. Comput. Chem. 2002, 23, 1466-1471
- (2002) J. Comput. Chem. , vol.23 , pp. 1466-1471
- Morita, A.¹

26
- 33644879448
- Lamoureux, G.; Roux, B. J. Phys. Chem. B 2006, 110, 3308-3322
- (2006) J. Phys. Chem. B , vol.110 , pp. 3308-3322
- Lamoureux, G.¹ Roux, B.²

27
- 0000678715
- Wells, B. H.; Wilson, S. Chem. Phys. Lett. 1983, 101, 429-434
- (1983) Chem. Phys. Lett. , vol.101 , pp. 429-434
- Wells, B.H.¹ Wilson, S.²

28
- 26344469495
- Perez, J. J.; Clarke, J. H. R.; Hinchliffe, A. Chem. Phys. Lett. 1984, 104, 583-586
- (1984) Chem. Phys. Lett. , vol.104 , pp. 583-586
- Perez, J.J.¹ Clarke, J.H.R.² Hinchliffe, A.³

29
- 0009103956
- Waite, J.; Papadopoulos, M. G. Theor. Chem. Acta 1989, 75, 53-65
- (1989) Theor. Chem. Acta , vol.75 , pp. 53-65
- Waite, J.¹ Papadopoulos, M.G.²

30
- 0346571015
- Aleman, C.; Perez, J. J.; Hinchliffe, A. Int. J. Mass Spectrom. Ion Process. 1992, 122, 331-336
- (1992) Int. J. Mass Spectrom. Ion Process. , vol.122 , pp. 331-336
- Aleman, C.¹ Perez, J.J.² Hinchliffe, A.³

31
- 60749090181
- Skwara, B.; Bartkowiak, W.; Silva, D. L. Theor. Chem. Acc. 2009, 122, 127-136
- (2009) Theor. Chem. Acc. , vol.122 , pp. 127-136
- Skwara, B.¹ Bartkowiak, W.² Silva, D.L.³

32
- 74549128761
- Baranowska, A.; Zawada, A.; Fernández, B.; Bartkowiak, W.; Kedziera, D.; Kaczmarek-Kȩdziera, A. Phys. Chem. Chem. Phys. 2010, 12, 852-862
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 852-862
- Baranowska, A.¹ Zawada, A.² Fernández, B.³ Bartkowiak, W.⁴ Kedziera, D.⁵ Kaczmarek-Kȩdziera, A.⁶

33
- 84555169334
- Zawada, A.; Bartkowiak, W. Comput. Theor. Chem. 2011, 967, 120-128
- (2011) Comput. Theor. Chem. , vol.967 , pp. 120-128
- Zawada, A.¹ Bartkowiak, W.²

34
- 84864718619
- Zawada, A.; Kaczmarek-Kȩdziera, A.; Bartkowiak, W. J. Mol. Model. 2012, 18, 3073-3086
- (2012) J. Mol. Model. , vol.18 , pp. 3073-3086
- Zawada, A.¹ Kaczmarek-Kȩdziera, A.² Bartkowiak, W.³

35
- 0002433877
- Karlstrom, G.; Sadlej, A. J. Theor. Chem. Acta 1982, 61, 1-9
- (1982) Theor. Chem. Acta , vol.61 , pp. 1-9
- Karlstrom, G.¹ Sadlej, A.J.²

36
- 0034249847
- Maroulis, G. J. Chem. Phys. 2000, 113, 1813-1820
- (2000) J. Chem. Phys. , vol.113 , pp. 1813-1820
- Maroulis, G.¹

37
- 79751538214
- Zawada, A.; Kaczmarek-Kȩdziera, A.; Bartkowiak, W. Chem. Phys. Lett. 2011, 503, 39-44
- (2011) Chem. Phys. Lett. , vol.503 , pp. 39-44
- Zawada, A.¹ Kaczmarek-Kȩdziera, A.² Bartkowiak, W.³

38
- 0037526170
- Ghanty, T. K.; Ghosh, S. K. J. Chem. Phys. 2003, 118, 8547-8550
- (2003) J. Chem. Phys. , vol.118 , pp. 8547-8550
- Ghanty, T.K.¹ Ghosh, S.K.²

39
- 13844272587
- Yang, M.; Senet, P.; Van Alsenoy, C. Int. J. Quantum Chem. 2005, 101, 535-542
- (2005) Int. J. Quantum Chem. , vol.101 , pp. 535-542
- Yang, M.¹ Senet, P.² Van Alsenoy, C.³

40
- 33746300255
- Krishtal, A.; Senet, P.; Yang, M.; Van Alsenoy, C. J. Chem. Phys. 2006, 125, 034312
- (2006) J. Chem. Phys. , vol.125 , pp. 034312
- Krishtal, A.¹ Senet, P.² Yang, M.³ Van Alsenoy, C.⁴

41
- 71949131583
- Hammond, J. R.; Govind, N.; Kowalski, K.; Autschbach, J.; Xantheas, S. S. J. Chem. Phys. 2009, 131, 214103
- (2009) J. Chem. Phys. , vol.131 , pp. 214103
- Hammond, J.R.¹ Govind, N.² Kowalski, K.³ Autschbach, J.⁴ Xantheas, S.S.⁵

42
- 79952529348
- Wang, Y.; Huang, X.; Shepler, B. C.; Braams, B. J.; Bowman, J. M. J. Chem. Phys. 2011, 134, 094509
- (2011) J. Chem. Phys. , vol.134 , pp. 094509
- Wang, Y.¹ Huang, X.² Shepler, B.C.³ Braams, B.J.⁴ Bowman, J.M.⁵

43
- 68849117520
- Wang, Y.; Shepler, B. C.; Braams, B. J.; Bowman, J. M. J. Chem. Phys. 2009, 131, 054511
- (2009) J. Chem. Phys. , vol.131 , pp. 054511
- Wang, Y.¹ Shepler, B.C.² Braams, B.J.³ Bowman, J.M.⁴

44
- 84984153757
- Kurtz, H. A.; Stewart, J. J. P.; Dieter, K. M. J. Comput. Chem. 1990, 11, 82-87
- (1990) J. Comput. Chem. , vol.11 , pp. 82-87
- Kurtz, H.A.¹ Stewart, J.J.P.² Dieter, K.M.³

45
- 84884178867
- et al. version 2012.1, a package of ab initio programs.
- Werner, H.-J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Schütz, M.; et al. MOLPRO, version 2012.1, a package of ab initio programs. 2012.
- (2012) MOLPRO
- Werner, H.-J.¹ Knowles, P.J.² Knizia, G.³ Manby, F.R.⁴ Schütz, M.⁵

46
- 84871364876
- Czyznikowska, Z.; Góra, R.; Zaleśny, R.; Bartkowiak, W.; Baranowska-Łàczkowska, A.; Leszczynski, J. Chem. Phys. Lett. 2013, 555, 230-234
- (2013) Chem. Phys. Lett. , vol.555 , pp. 230-234
- Czyznikowska, Z.¹ Góra, R.² Zaleśny, R.³ Bartkowiak, W.⁴ Baranowska-ŁÀczkowska, A.⁵ Leszczynski, J.⁶

47
- 84890021933
- Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

48
- 0000916430
- White, J. C.; Davidson, E. R. J. Chem. Phys. 1990, 93, 8029-8035
- (1990) J. Chem. Phys. , vol.93 , pp. 8029-8035
- White, J.C.¹ Davidson, E.R.²

49
- 0031583452
- Valiron, P.; Mayer, I. Chem. Phys. Lett. 1997, 275, 46-55
- (1997) Chem. Phys. Lett. , vol.275 , pp. 46-55
- Valiron, P.¹ Mayer, I.²

50
- 0003468774
- Dover Publications: Mineola.
- Szabo, A.; Ostlund, N. S. Modern Quantum Chemistry; Dover Publications: Mineola, 1996.
- (1996) Modern Quantum Chemistry
- Szabo, A.¹ Ostlund, N.S.²

51
- 0006244148
- Raghavachari, K.; Truck, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479-483
- (1989) Chem. Phys. Lett. , vol.157 , pp. 479-483
- Raghavachari, K.¹ Truck, G.W.² Pople, J.A.³ Head-Gordon, M.⁴

52
- 33746614482
- Dunning, T. H. J. Chem. Phys. 1989, 90, 1007
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning, T.H.¹

53
- 84877796410
- Roztoczyńska, A.; Kaczmarek-Kȩdziera, A.; Góra, R. W.; Bartkowiak, W. Chem. Phys. Lett. 2013, 571, 28-33
- (2013) Chem. Phys. Lett. , vol.571 , pp. 28-33
- Roztoczyńska, A.¹ Kaczmarek-Kȩdziera, A.² Góra, R.W.³ Bartkowiak, W.⁴

54
- 4143095330
- Kendall, R. A.; Dunning, T. H.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796-6806
- (1992) J. Chem. Phys. , vol.96 , pp. 6796-6806
- Kendall, R.A.¹ Dunning, T.H.² Harrison, R.J.³

55
- 26444474547
- Woon, D. E.; Dunning, T. H. J. Chem. Phys. 1994, 100, 2975-2988
- (1994) J. Chem. Phys. , vol.100 , pp. 2975-2988
- Woon, D.E.¹ Dunning, T.H.²

56
- 80055042187
- Temelso, B.; Archer, K. A.; Shields, G. C. J. Phys. Chem. A 2011, 115, 12034-12046
- (2011) J. Phys. Chem. A , vol.115 , pp. 12034-12046
- Temelso, B.¹ Archer, K.A.² Shields, G.C.³

57
- 64849103650
- Bates, D. M.; Tschumper, G. S. J. Phys. Chem. A 2009, 113, 3555-3559
- (2009) J. Phys. Chem. A , vol.113 , pp. 3555-3559
- Bates, D.M.¹ Tschumper, G.S.²

58
- 47049129208
- Dahlke, E. E.; Olson, R. M.; Leverentz, H. R.; Truhlar, D. G. J. Phys. Chem. A 2008, 112, 3976-3984
- (2008) J. Phys. Chem. A , vol.112 , pp. 3976-3984
- Dahlke, E.E.¹ Olson, R.M.² Leverentz, H.R.³ Truhlar, D.G.⁴

59
- 84863833785
- Wang, Y.; Babin, V.; Bowman, J. M.; Paesani, F. J. Am. Chem. Soc. 2012, 134, 11116-11119
- (2012) J. Am. Chem. Soc. , vol.134 , pp. 11116-11119
- Wang, Y.¹ Babin, V.² Bowman, J.M.³ Paesani, F.⁴

60
- 84881153365
- Foley, J. J.; Mazziotti, D. A. J. Phys. Chem. A 2013, 117, 6712-6716
- (2013) J. Phys. Chem. A , vol.117 , pp. 6712-6716
- Foley, J.J.¹ Mazziotti, D.A.²

61
- 0027989792
- Pribble, R. N.; Zwier, T. S. Science 1994, 265, 75-79
- (1994) Science , vol.265 , pp. 75-79
- Pribble, R.N.¹ Zwier, T.S.²

62
- 0001724970
- Liu, K.; Brown, M. G.; Carter, C.; Saykally, R. J.; Gregory, J. K.; Clary, D. C. Nature 1996, 381, 501-503
- (1996) Nature , vol.381 , pp. 501-503
- Liu, K.¹ Brown, M.G.² Carter, C.³ Saykally, R.J.⁴ Gregory, J.K.⁵ Clary, D.C.⁶

63
- 0033963566
- Nauta, K.; Miller, R. E. Science 2000, 287, 293-295
- (2000) Science , vol.287 , pp. 293-295
- Nauta, K.¹ Miller, R.E.²

64
- 4043144936
- Steinbach, C.; Andersson, P.; Melzer, M.; Kazimirski, J. K.; Buck, U.; Buch, V. Phys. Chem. Chem. Phys. 2004, 6, 3320-3324
- (2004) Phys. Chem. Chem. Phys. , vol.6 , pp. 3320-3324
- Steinbach, C.¹ Andersson, P.² Melzer, M.³ Kazimirski, J.K.⁴ Buck, U.⁵ Buch, V.⁶

65
- 84861216974
- Perez, C.; Muckle, M. T.; Zaleski, D. P.; Seifert, N. A.; Temelso, B.; Shields, G. C.; Kisiel, Z.; Pate, B. H. Science 2012, 336, 897-901
- (2012) Science , vol.336 , pp. 897-901
- Perez, C.¹ Muckle, M.T.² Zaleski, D.P.³ Seifert, N.A.⁴ Temelso, B.⁵ Shields, G.C.⁶ Kisiel, Z.⁷ Pate, B.H.⁸

66
- 0030574795
- Bernholdt, D. E.; Harrison, R. J. Chem. Phys. Lett. 1996, 250, 477-484
- (1996) Chem. Phys. Lett. , vol.250 , pp. 477-484
- Bernholdt, D.E.¹ Harrison, R.J.²

67
- 20344381993
- Feyereisen, M.; Fitzgerald, G.; Komomicki, A. Chem. Phys. Lett. 1993, 208, 359-363
- (1993) Chem. Phys. Lett. , vol.208 , pp. 359-363
- Feyereisen, M.¹ Fitzgerald, G.² Komomicki, A.³

68
- 84878352029
- Kazachenko, S.; Thakkar, A. J. J. Chem. Phys. 2013, 138, 194302
- (2013) J. Chem. Phys. , vol.138 , pp. 194302
- Kazachenko, S.¹ Thakkar, A.J.²

69
- 0037899660
- Ren, P.; Ponder, J. W. J. Phys. Chem. B 2003, 107, 5933-5947
- (2003) J. Phys. Chem. B , vol.107 , pp. 5933-5947
- Ren, P.¹ Ponder, J.W.²

70
- 84871567760
- Babin, V.; Medders, G. R.; Paesani, F. J. Phys. Chem. Lett. 2012, 3, 3765-3769
- (2012) J. Phys. Chem. Lett. , vol.3 , pp. 3765-3769
- Babin, V.¹ Medders, G.R.² Paesani, F.³

71
- 84873641161
- Medders, G. R.; Babin, V.; Paesani, F. J. Chem. Theory Comput. 2013, 9, 1103-1114
- (2013) J. Chem. Theory Comput. , vol.9 , pp. 1103-1114
- Medders, G.R.¹ Babin, V.² Paesani, F.³

72
- 39749138302
- Fanourgakis, G. S.; Xantheas, S. S. J. Chem. Phys. 2008, 128, 074506
- (2008) J. Chem. Phys. , vol.128 , pp. 074506
- Fanourgakis, G.S.¹ Xantheas, S.S.²

73
- 40549120342
- Bukowski, R.; Szalewicz, K.; Groenenboom, G. C.; van Der Avoird, A. J. Chem. Phys. 2008, 128, 094313
- (2008) J. Chem. Phys. , vol.128 , pp. 094313
- Bukowski, R.¹ Szalewicz, K.² Groenenboom, G.C.³ Van Der Avoird, A.⁴

74
- 40549121992
- Bukowski, R.; Szalewicz, K.; Groenenboom, G. C.; van Der Avoird, A. J. Chem. Phys. 2008, 128, 094314
- (2008) J. Chem. Phys. , vol.128 , pp. 094314
- Bukowski, R.¹ Szalewicz, K.² Groenenboom, G.C.³ Van Der Avoird, A.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.