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Journal of Chemical Physics

Volumn 141, Issue 4, 2014, Pages

Diffusive and quantum effects of water properties in different states of matter

(4) Yeh, Kuan Yu a,b Huang, Shao Nung a Chen, Li Jen a Lin, Shiang Tai a

a NATIONAL TAIWAN UNIVERSITY (Taiwan)

b CPC CORPORATION (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFUSION IN LIQUIDS; ENTROPY; FREE ENERGY; MOLECULAR DYNAMICS; QUANTUM ELECTRONICS;

CHEMICAL AND BIOLOGICALS; CLASSICAL MOLECULAR DYNAMICS; CONVENTIONAL APPROACH; DIFFERENT TREATMENTS; PHYSICAL QUANTITIES; TEMPERATURE DEPENDENCE; VIBRATIONAL DENSITY OF STATE; WEIGHTING FUNCTIONS;

ENTHALPY;

WATER;

CHEMICAL MODEL; CHEMISTRY; DIFFUSION; MOLECULAR DYNAMICS; QUANTUM THEORY; THERMODYNAMICS;

DIFFUSION; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; THERMODYNAMICS; WATER;

EID: 84905669389 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.4890572 Document Type: Article

Times cited : (6)

References (73)

1
- 0001057151
- P. Kebarle, S. K. Searles, A. Zolla, J. Scarboro, and M. Arshadi, J. Am. Chem. Soc. 89, 6393 (1967).
- (1967) J. Am. Chem. Soc. , vol.89 , pp. 6393
- Kebarle, P.¹ Searles, S.K.² Zolla, A.³ Scarboro, J.⁴ Arshadi, M.⁵

2
- 0014722597
- R. Lumry and S. Rajender, Biopolymers 9, 1125 (1970).
- (1970) Biopolymers , vol.9 , pp. 1125
- Lumry, R.¹ Rajender, S.²

3
- 36449003495
- Z. Shi, J. V. Ford, S. Wei, and A. W. Castleman, J. Chem. Phys. 99, 8009 (1993).
- (1993) J. Chem. Phys. , vol.99 , pp. 8009
- Shi, Z.¹ Ford, J.V.² Wei, S.³ Castleman, A.W.⁴

4
- 0031556719
- V. P. Denisov, K. Venu, J. Peters, H. D. Horlein, and B. Halle, J. Phys. Chem. B 101, 9380 (1997).
- (1997) J. Phys. Chem. B , vol.101 , pp. 9380
- Denisov, V.P.¹ Venu, K.² Peters, J.³ Horlein, H.D.⁴ Halle, B.⁵

5
- 0034644141
- A. Scala, F. W. Starr, E. La Nave, F. Sciortino, and H. E. Stanley, Nature 406, 166 (2000).
- (2000) Nature , vol.406 , pp. 166
- Scala, A.¹ Starr, F.W.² La Nave, E.³ Sciortino, F.⁴ Stanley, H.E.⁵

6
- 10944273651
- Y. Harano and M. Kinoshita, Chem. Phys. Lett. 399, 342 (2004).
- (2004) Chem. Phys. Lett. , vol.399 , pp. 342
- Harano, Y.¹ Kinoshita, M.²

7
- 19944403601
- S. T. Lin, P. K. Maiti, and W. A. Goddard, J. Phys. Chem. B 109, 8663 (2005).
- (2005) J. Phys. Chem. B , vol.109 , pp. 8663
- Lin, S.T.¹ Maiti, P.K.² Goddard, W.A.³

8
- 33750307995
- B. Jana, S. Pal, P. K. Maiti, S. T. Lin, J. T. Hynes, and B. Bagchi, J. Phys. Chem. B 110, 19611 (2006).
- (2006) J. Phys. Chem. B , vol.110 , pp. 19611
- Jana, B.¹ Pal, S.² Maiti, P.K.³ Lin, S.T.⁴ Hynes, J.T.⁵ Bagchi, B.⁶

9
- 40949155147
- D. H. Leung, R. G. Bergman, and K. N. Raymond, J. Am. Chem. Soc. 130, 2798 (2008).
- (2008) J. Am. Chem. Soc. , vol.130 , pp. 2798
- Leung, D.H.¹ Bergman, R.G.² Raymond, K.N.³

10
- 78650655036
- A. Debnath, B. Mukherjee, K. G. Ayappa, P. K. Maiti, and S. T. Lin, J. Chem. Phys. 133, 174704 (2010).
- (2010) J. Chem. Phys. , vol.133 , pp. 174704
- Debnath, A.¹ Mukherjee, B.² Ayappa, K.G.³ Maiti, P.K.⁴ Lin, S.T.⁵

11
- 78651466791
- B. Nandy and P. K. Maiti, J. Phys. Chem. B 115, 217 (2011).
- (2011) J. Phys. Chem. B , vol.115 , pp. 217
- Nandy, B.¹ Maiti, P.K.²

12
- 84862863474
- B. J. Borah, P. K. Maiti, C. Chakravarty, and S. Yashonath, J. Chem. Phys. 136, 174510 (2012).
- (2012) J. Chem. Phys. , vol.136 , pp. 174510
- Borah, B.J.¹ Maiti, P.K.² Chakravarty, C.³ Yashonath, S.⁴

13
- 84886933840
- B. Breiten, M. R. Lockett, W. Sherman, S. Fujita, M. Al-Sayah, H. Lange, C. M. Bowers, A. Heroux, G. Krilov, and G. M. Whitesides, J. Am. Chem. Soc. 135, 15579 (2013).
- (2013) J. Am. Chem. Soc. , vol.135 , pp. 15579
- Breiten, B.¹ Lockett, M.R.² Sherman, W.³ Fujita, S.⁴ Al-Sayah, M.⁵ Lange, H.⁶ Bowers, C.M.⁷ Heroux, A.⁸ Krilov, G.⁹ Whitesides, G.M.¹⁰

14
- 84903362281
- V. A. Sirotkin and A. V. Khadiullina, J. Chem. Phys. 139, 075102 (2013).
- (2013) J. Chem. Phys. , vol.139 , pp. 075102
- Sirotkin, V.A.¹ Khadiullina, A.V.²

15
- 84871814488
- A. Debnath, K. G. Ayappa, and P. K. Maiti, Phys. Rev. Lett. 110, 018303 (2013).
- (2013) Phys. Rev. Lett. , vol.110 , pp. 018303
- Debnath, A.¹ Ayappa, K.G.² Maiti, P.K.³

16
- 84868097085
- T. A. Pascal,W. A. Goddard, P. K. Maiti, and N. Vaidehi, J. Phys. Chem. B 116, 12159 (2012).
- (2012) J. Phys. Chem. B , vol.116 , pp. 12159
- Pascal, T.A.¹ Goddard, W.A.² Maiti, P.K.³ Vaidehi, N.⁴

17
- 79953325525
- H. Kumar, B. Mukherjee, S.-T. Lin, C. Dasgupta, A. K. Sood, and P. K. Maiti, J. Chem. Phys. 134, 124105 (2011).
- (2011) J. Chem. Phys. , vol.134 , pp. 124105
- Kumar, H.¹ Mukherjee, B.² Lin, S.-T.³ Dasgupta, C.⁴ Sood, A.K.⁵ Maiti, P.K.⁶

18
- 77951862172
- L. Jensen, K. Thomsen, N. von Solms, S. Wierzchowski, M. R. Walsh, C. A. Koh, E. D. Sloan, D. T.Wu, and A. K. Sum, J. Phys. Chem. B 114, 5775 (2010).
- (2010) J. Phys. Chem. B , vol.114 , pp. 5775
- Jensen, L.¹ Thomsen, K.² Von Solms, N.³ Wierzchowski, S.⁴ Walsh, M.R.⁵ Koh, C.A.⁶ Sloan, E.D.⁷ Wu, D.T.⁸ Sum, A.K.⁹

19
- 84870726202
- Academic Press, New York
- D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, New York, 2002).
- (2002) Understanding Molecular Simulation: From Algorithms to Applications
- Frenkel, D.¹ Smit, B.²

20
- 33847046749
- R. H. Henchman, J. Chem. Phys. 126, 064504 (2007).
- (2007) J. Chem. Phys. , vol.126 , pp. 064504
- Henchman, R.H.¹

21
- 42549094990
- C. Vega, E. Sanz, J. L. F. Abascal, and E. G. Noya, J. Phys.: Condens. Matter 20, 153101 (2008).
- (2008) J. Phys.: Condens. Matter , vol.20 , pp. 153101
- Vega, C.¹ Sanz, E.² Abascal, J.L.F.³ Noya, E.G.⁴

22
- 33646471468
- J. G. Kirkwood, J. Chem. Phys. 3, 300 (1935).
- (1935) J. Chem. Phys. , vol.3 , pp. 300
- Kirkwood, J.G.¹

23
- 0021407359
- M. S. Wertheim, J. Stat. Phys. 35, 35 (1984).
- (1984) J. Stat. Phys. , vol.35 , pp. 35
- Wertheim, M.S.¹

24
- 0042640726
- B. Widom, J. Chem. Phys. 39, 2808 (1963).
- (1963) J. Chem. Phys. , vol.39 , pp. 2808
- Widom, B.¹

25
- 0000705676
- P. H. Berens, D. H. J. Mackay, G. M. White, and K. R. Wilson, J. Chem. Phys. 79, 2375 (1983).
- (1983) J. Chem. Phys. , vol.79 , pp. 2375
- Berens, P.H.¹ Mackay, D.H.J.² White, G.M.³ Wilson, K.R.⁴

26
- 75749111025
- C. Vega, M. M. Conde, C. McBride, J. L. F. Abascal, E. G. Noya, R. Ramirez, and L. M. Sese, J. Chem. Phys. 132, 046101 (2010).
- (2010) J. Chem. Phys. , vol.132 , pp. 046101
- Vega, C.¹ Conde, M.M.² McBride, C.³ Abascal, J.L.F.⁴ Noya, E.G.⁵ Ramirez, R.⁶ Sese, L.M.⁷

27
- 0003527976
- University Science Books
- D. A. McQuarrie, Statistical Mechanics (University Science Books, 2000).
- (2000) Statistical Mechanics
- McQuarrie, D.A.¹

28
- 84978673769
- P. Debye, Ann. Phys. 344, 789 (1912).
- (1912) Ann. Phys. , vol.344 , pp. 789
- Debye, P.¹

29
- 25444514520
- B. Bagchi, Chem. Rev. 105, 3197 (2005).
- (2005) Chem. Rev. , vol.105 , pp. 3197
- Bagchi, B.¹

30
- 0031338986
- N. Nandi and B. Bagchi, J. Phys. Chem. B 101, 10954 (1997).
- (1997) J. Phys. Chem. B , vol.101 , pp. 10954
- Nandi, N.¹ Bagchi, B.²

31
- 0347682285
- S. T. Lin, M. Blanco, and W. A. Goddard, J. Chem. Phys. 119, 11792 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 11792
- Lin, S.T.¹ Blanco, M.² Goddard, W.A.³

32
- 77953767137
- S. T. Lin, P. K. Maiti, and W. A. Goddard, J. Phys. Chem. B 114, 8191 (2010).
- (2010) J. Phys. Chem. B , vol.114 , pp. 8191
- Lin, S.T.¹ Maiti, P.K.² Goddard, W.A.³

33
- 84867712933
- P.-K. Lai, C.-M. Hsieh, and S.-T. Lin, Phys. Chem. Chem. Phys. 14, 15206 (2012).
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 15206
- Lai, P.-K.¹ Hsieh, C.-M.² Lin, S.-T.³

34
- 0000797345
- B. J. Berne and D. Thirumalai, Annu. Rev. Phys. Chem. 37, 401 (1986).
- (1986) Annu. Rev. Phys. Chem. , vol.37 , pp. 401
- Berne, B.J.¹ Thirumalai, D.²

35
- 84905665425
- L. H. de la Pena, M. S. G. Razul, and P. G. Kusalik, J. Chem. Phys. 123, 144506 (2005).
- (2005) J. Chem. Phys. , vol.123 , pp. 144506
- De La Pena, L.H.¹ Razul, M.S.G.² Kusalik, P.G.³

36
- 17144383937
- L. H. de la Pena and P. G. Kusalik, J. Am. Chem. Soc. 127, 5246 (2005).
- (2005) J. Am. Chem. Soc. , vol.127 , pp. 5246
- De La Pena, L.H.¹ Kusalik, P.G.²

37
- 67650764007
- C. McBride, C. Vega, E. G. Noya, R. Ramirez, and L. M. Sese, J. Chem. Phys. 131, 024506 (2009).
- (2009) J. Chem. Phys. , vol.131 , pp. 024506
- McBride, C.¹ Vega, C.² Noya, E.G.³ Ramirez, R.⁴ Sese, L.M.⁵

38
- 66349087681
- F. Paesani and G. A. Voth, J. Phys. Chem. B 113, 5702 (2009).
- (2009) J. Phys. Chem. B , vol.113 , pp. 5702
- Paesani, F.¹ Voth, G.A.²

39
- 79959209257
- S.-N. Huang, T. A. Pascal, W. A. Goddard III, P. K. Maiti, and S.-T. Lin, J. Chem. Theory Comput. 7, 1893 (2011).
- (2011) J. Chem. Theory Comput. , vol.7 , pp. 1893
- Huang, S.-N.¹ Pascal, T.A.² Goddard III, W.A.³ Maiti, P.K.⁴ Lin, S.-T.⁵

40
- 84855671158
- C. Caleman, P. J. van Maaren, M. Y. Hong, J. S. Hub, L. T. Costa, and D. van der Spoel, J. Chem. Theory Comput. 8, 61 (2012).
- (2012) J. Chem. Theory Comput. , vol.8 , pp. 61
- Caleman, C.¹ Van Maaren, P.J.² Hong, M.Y.³ Hub, J.S.⁴ Costa, L.T.⁵ Spoel Der D.Van⁶

41
- 84891720844
- M. P. Desjarlais, Phys. Rev. E 88, 062145 (2013).
- (2013) Phys. Rev. E , vol.88 , pp. 062145
- Desjarlais, M.P.¹

42
- 84884916256
- J. Han, W. Y. Wang, C. Wang, Y. Wang, X. Liu, and Z.-K. Liu, Fluid Phase Equilib. 360, 44 (2013).
- (2013) Fluid Phase Equilib. , vol.360 , pp. 44
- Han, J.¹ Wang, W.Y.² Wang, C.³ Wang, Y.⁴ Liu, X.⁵ Liu, Z.-K.⁶

43
- 84892727470
- J.Wang, B. Chakraborty, and J. Eapen, Phys. Chem. Chem. Phys. 16, 3062 (2014).
- (2014) Phys. Chem. Chem. Phys. , vol.16 , pp. 3062
- Wang, J.¹ Chakraborty, B.² Eapen, J.³

44
- 80455177304
- C. Vega and J. L. F. Abascal, Phys. Chem. Chem. Phys. 13, 19663 (2011).
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 19663
- Vega, C.¹ Abascal, J.L.F.²

45
- 0004016501
- W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 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

46
- 1242346370
- H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Chem. Phys. 91, 6269 (1987).
- (1987) J. Chem. Phys. , vol.91 , pp. 6269
- Berendsen, H.J.C.¹ Grigera, J.R.² Straatsma, T.P.³

47
- 2942622288
- H. W. Horn, W. C. Swope, J. W. Pitera, J. D. Madura, T. J. Dick, G. L. Hura, and T. Head-Gordon, J. Chem. Phys. 120, 9665 (2004).
- (2004) J. Chem. Phys. , vol.120 , pp. 9665
- Horn, H.W.¹ Swope, W.C.² Pitera, J.W.³ Madura, J.D.⁴ Dick, T.J.⁵ Hura, G.L.⁶ Head-Gordon, T.⁷

48
- 29244471731
- J. L. F. Abascal and C. Vega, J. Chem. Phys. 123, 234505 (2005).
- (2005) J. Chem. Phys. , vol.123 , pp. 234505
- Abascal, J.L.F.¹ Vega, C.²

49
- 23344446773
- J. L. F. Abascal, E. Sanz, R. G. Fernandez, and C. Vega, J. Chem. Phys. 122, 234511 (2005).
- (2005) J. Chem. Phys. , vol.122 , pp. 234511
- Abascal, J.L.F.¹ Sanz, E.² Fernandez, R.G.³ Vega, C.⁴

50
- 0014814127
- N. F. Carnahan and K. E. Starling, J. Chem. Phys. 53, 600 (1970).
- (1970) J. Chem. Phys. , vol.53 , pp. 600
- Carnahan, N.F.¹ Starling, K.E.²

51
- 0002467378
- S. Plimpton, J. Comput. Phys. 117, 1 (1995).
- (1995) J. Comput. Phys. , vol.117 , pp. 1
- Plimpton, S.¹

52
- 0346735076
- J. D. Bernal and R. H. Fowler, J. Chem. Phys. 1, 515 (1933).
- (1933) J. Chem. Phys. , vol.1 , pp. 515
- Bernal, J.D.¹ Fowler, R.H.²

53
- 0001538909
- W. G. Hoover, Phys. Rev. A 31, 1695 (1985).
- (1985) Phys. Rev. A , vol.31 , pp. 1695
- Hoover, W.G.¹

54
- 33646645973
- W. G. Hoover, Phys. Rev. A 34, 2499 (1986).
- (1986) Phys. Rev. A , vol.34 , pp. 2499
- Hoover, W.G.¹

55
- 33846823909
- T. Darden, D. York, and L. Pedersen, J. Chem. Phys. 98, 10089 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 10089
- Darden, T.¹ York, D.² Pedersen, L.³

56
- 8344270231
- Y. Koyama, H. Tanaka, G. T. Gao, and X. C. Zeng, J. Chem. Phys. 121, 7926 (2004).
- (2004) J. Chem. Phys. , vol.121 , pp. 7926
- Koyama, Y.¹ Tanaka, H.² Gao, G.T.³ Zeng, X.C.⁴

57
- 36549103625
- G. E. Walrafen, M. R. Fisher, M. S. Hokmabadi, and W. H. Yang, J. Chem. Phys. 85, 6970 (1986);
- (1986) J. Chem. Phys. , vol.85 , pp. 6970
- Walrafen, G.E.¹ Fisher, M.R.² Hokmabadi, M.S.³ Yang, W.H.⁴

58
- 58149363996
- H. R. Zelsmann, J. Mol. Struct. 350, 95 (1995).
- (1995) J. Mol. Struct. , vol.350 , pp. 95
- Zelsmann, H.R.¹

59
- 0005538815
- M. Cho, G. R. Fleming, S. Saito, I. Ohmine, and R. M. Stratt, J. Chem. Phys. 100, 6672 (1994);
- (1994) J. Chem. Phys. , vol.100 , pp. 6672
- Cho, M.¹ Fleming, G.R.² Saito, S.³ Ohmine, I.⁴ Stratt, R.M.⁵

60
- 33748493775
- R. Feistel and W. Wagner, J. Phys. Chem. Ref. Data 35, 1021 (2006).
- (2006) J. Phys. Chem. Ref. Data , vol.35 , pp. 1021
- Feistel, R.¹ Wagner, W.²

61
- 80052786849
- Q. Waheed and O. Edholm, J. Chem. Theory Comput. 7, 2903 (2011).
- (2011) J. Chem. Theory Comput. , vol.7 , pp. 2903
- Waheed, Q.¹ Edholm, O.²

62
- 33746924001
- L. H. de la Pena and P. G. Kusalik, J. Chem. Phys. 125, 054512 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 054512
- De La Pena, L.H.¹ Kusalik, P.G.²

63
- 0034666859
- M. Holz, S. Heil, and A. Sacco, Phys. Chem. Chem. Phys. 2, 4740 (2000).
- (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 4740
- Holz, M.¹ Heil, S.² Sacco, A.³

64
- 50549103742
- M. Klefas-Stennett and R. H. Henchman, J. Phys. Chem. B 112, 9769 (2008).
- (2008) J. Phys. Chem. B , vol.112 , pp. 9769
- Klefas-Stennett, M.¹ Henchman, R.H.²

65
- 84872034622
- T. A. Pascal, D. Scharf, Y. Jung, and T. D. Kuhne, J. Chem. Phys. 137, 244507 (2012).
- (2012) J. Chem. Phys. , vol.137 , pp. 244507
- Pascal, T.A.¹ Scharf, D.² Jung, Y.³ Kuhne, T.D.⁴

66
- 82555186133
- C. Zhang, L. Spanu, and G. Galli, J. Phys. Chem. B 115, 14190 (2011).
- (2011) J. Phys. Chem. B , vol.115 , pp. 14190
- Zhang, C.¹ Spanu, L.² Galli, G.³

67
- 34547649512
- R. G. Fernandez, J. L. F. Abascal, and C. Vega, J. Chem. Phys. 124, 144506 (2006).
- (2006) J. Chem. Phys. , vol.124 , pp. 144506
- Fernandez, R.G.¹ Abascal, J.L.F.² Vega, C.³

68
- 0035331383
- M. Lisal, W. R. S. William, and I. Nezbeda, Fluid Phase Equilib. 181, 127 (2001).
- (2001) Fluid Phase Equilib. , vol.181 , pp. 127
- Lisal, M.¹ William, W.R.S.² Nezbeda, I.³

69
- 11344265760
- Z. H. Duan, N. Moller, and J. H. Weare, J. Phys. Chem. B 108, 20303 (2004).
- (2004) J. Phys. Chem. B , vol.108 , pp. 20303
- Duan, Z.H.¹ Moller, N.² Weare, J.H.³

70
- 26944495260
- C. Vega and J. L. F. Abascal, J. Chem. Phys. 123, 144504 (2005).
- (2005) J. Chem. Phys. , vol.123 , pp. 144504
- Vega, C.¹ Abascal, J.L.F.²

71
- 34347209846
- J. L. F. Abascal and C. Vega, Phys. Chem. Chem. Phys. 9, 2775 (2007).
- (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 2775
- Abascal, J.L.F.¹ Vega, C.²

72
- 33746311995
- C. Vega, J. L. F. Abascal, and I. Nezbeda, J. Chem. Phys. 125, 034503 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 034503
- Vega, C.¹ Abascal, J.L.F.² Nezbeda, I.³

73
- 84863701195
- C. McBride, E. G. Noya, J. L. Aragones, M. M. Condea, and C. Vega, Phys. Chem. Chem. Phys. 14, 10140 (2012).
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 10140
- McBride, C.¹ Noya, E.G.² Aragones, J.L.³ Condea, M.M.⁴ Vega, C.⁵

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