SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 131, Issue 24, 2009, Pages

Accurate thermodynamics for short-ranged truncations of Coulomb interactions in site-site molecular models

(2) Rodgers, Jocelyn M a,b,c Weeks, John D a

a Bldg 142 (United States)

b UNIVERSITY OF MARYLAND (United States)

c LAWRENCE BERKELEY NATIONAL LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALL-ATOM FORCE FIELD; DENSITY ERRORS; EXTERNAL PRESSURES; FAST SIMULATION; LOCAL MOLECULAR FIELDS; MOLECULAR MODELS; PRESSURE CORRECTION; RESEARCH GROUPS; SPC/E WATER; UNCHARGED MOLECULES; WATER MODELS;

COULOMB INTERACTIONS; WATER TREATMENT;

THERMODYNAMICS;

EID: 73649105130 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3276729 Document Type: Article

Times cited : (33)

References (34)

1
- 0242663237
- 0192-8651. 10.1002/jcc.10349
- Y. Duan, C. Wu, S. Chowdhury, M. Lee, G. Xiong, W. Zhang, R. Yang, P. Cieplak, R. Luo, T. Lee, J. Caldwell, J. Wang, and P. Kollman, J. Comput. Chem. 0192-8651 24, 1999 (2003). 10.1002/jcc.10349
- (2003) J. Comput. Chem. , vol.24 , pp. 1999
- Duan, Y.¹ Wu, C.² Chowdhury, S.³ Lee, M.⁴ Xiong, G.⁵ Zhang, W.⁶ Yang, R.⁷ Cieplak, P.⁸ Luo, R.⁹ Lee, T.¹⁰ Caldwell, J.¹¹ Wang, J.¹² Kollman, P.¹³

2
- 0041784950
- 1089-5647. 10.1021/jp973084f
- A. D. MacKerell, Jr., D. Bashford, M. Bellott, R. L. Dunbrack, Jr., J. D. Evanseck, M. J. Field, S. Fischer, J. Gao, H. Guo, S. Ha, D. Joseph-McCarthy, L. Kuchnir, K. Kuczera, F. T. K. Lau, C. Mattos, S. Michnick, T. Ngo, D. T. Nguyen, B. Prodhom, W. E. Reiher, III, B. Roux, M. Schlenkrich, J. C. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiórkiewicz-Kuczera, D. Yin, and M. Karplus J. Phys. Chem. B 1089-5647 102, 3586 (1998). 10.1021/jp973084f
- (1998) J. Phys. Chem. B , vol.102 , pp. 3586
- Mackerell Jr., A.D.¹ Bashford, D.² Bellott, M.³ Dunbrack Jr., R.L.⁴ Evanseck, J.D.⁵ Field, M.J.⁶ Fischer, S.⁷ Gao, J.⁸ Guo, H.⁹ Ha, S.¹⁰ Joseph-Mccarthy, D.¹¹ Kuchnir, L.¹² Kuczera, K.¹³ Lau, F.T.K.¹⁴ Mattos, C.¹⁵ Michnick, S.¹⁶ Ngo, T.¹⁷ Nguyen, D.T.¹⁸ Prodhom, B.¹⁹ Iii R. E, W.²⁰ more..

3
- 84870726202
- 2nd ed. (Academic, New York)
- D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, 2nd ed. (Academic, New York, 2002).
- (2002) Understanding Molecular Simulation: From Algorithms to Applications
- Frenkel, D.¹ Smit, B.²

4
- 33745299454
- Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics
- DOI 10.1063/1.2206581
- C. Fennell and J. Gezelter, J. Chem. Phys. 0021-9606 124, 234104 (2006). 10.1063/1.2206581 (Pubitemid 43938884)
- (2006) Journal of Chemical Physics , vol.124 , Issue.23 , pp. 234104
- Fennell, C.J.¹ Gezelter, J.D.²

5
- 0001508537
- 0021-9606. 10.1063/1.478738
- D. Wolf, P. Keblinski, S. Phillpot, and J. Eggebrecht, J. Chem. Phys. 0021-9606 110, 8254 (1999). 10.1063/1.478738
- (1999) J. Chem. Phys. , vol.110 , pp. 8254
- Wolf, D.¹ Keblinski, P.² Phillpot, S.³ Eggebrecht, J.⁴

6
- 19944395636
- 0026-8976. 10.1080/0026897042000274775
- I. Nezbeda, Mol. Phys. 0026-8976 103, 59 (2005). 10.1080/ 0026897042000274775
- (2005) Mol. Phys. , vol.103 , pp. 59
- Nezbeda, I.¹

7
- 45549086222
- 1089-5647. 10.1021/jp710339n
- S. Izvekov, J. M. Swanson, and G. A. Voth, J. Phys. Chem. B 1089-5647 112, 4711 (2008). 10.1021/jp710339n
- (2008) J. Phys. Chem. B , vol.112 , pp. 4711
- Izvekov, S.¹ Swanson, J.M.² Voth, G.A.³

8
- 0028766513
- 0953-8984. 10.1088/0953-8984/6/23A/018
- G. Hummer, D. Soumpasis, and M. Neumann, J. Phys.: Condens. Matter 0953-8984 6, A141 (1994). 10.1088/0953-8984/6/23A/018
- (1994) J. Phys.: Condens. Matter , vol.6 , pp. 141
- Hummer, G.¹ Soumpasis, D.² Neumann, M.³

9
- 0000951252
- 0022-3654. 10.1021/jp9614658
- S. E. Feller, R. W. Pastor, A. Rojnuckarin, S. Bogusz, and B. R. Brooks, J. Phys. Chem. 0022-3654 100, 17011 (1996). 10.1021/jp9614658
- (1996) J. Phys. Chem. , vol.100 , pp. 17011
- Feller, S.E.¹ Pastor, R.W.² Rojnuckarin, A.³ Bogusz, S.⁴ Brooks, B.R.⁵

10
- 0001372160
- 0021-9606. 10.1063/1.474295
- E. Spohr, J. Chem. Phys. 0021-9606 107, 6342 (1997). 10.1063/1.474295
- (1997) J. Chem. Phys. , vol.107 , pp. 6342
- Spohr, E.¹

11
- 0037126423
- Enhancement of the wolf damped Coulomb potential: Static, dynamic, and dielectric properties of liquid water from molecular simulation
- DOI 10.1021/jp025949h
- D. Zahn, B. Schilling, and S. Kast, J. Phys. Chem. B 1089-5647 106, 10725 (2002). 10.1021/jp025949h (Pubitemid 35410269)
- (2002) Journal of Physical Chemistry B , vol.106 , Issue.41 , pp. 10725-10732
- Zahn, D.¹ Schilling, B.² Kast, S.M.³

12
- 0001764584
- 0031-9007. 10.1103/PhysRevLett.81.4400
- J. D. Weeks, K. Katsov, and K. Vollmayr, Phys. Rev. Lett. 0031-9007 81, 4400 (1998). 10.1103/PhysRevLett.81.4400
- (1998) Phys. Rev. Lett. , vol.81 , pp. 4400
- Weeks, J.D.¹ Katsov, K.² Vollmayr, K.³

13
- 58149328969
- 0953-8984. 10.1088/0953-8984/20/49/494206
- J. M. Rodgers and J. D. Weeks, J. Phys.: Condens. Matter 0953-8984 20, 494206 (2008). 10.1088/0953-8984/20/49/494206
- (2008) J. Phys.: Condens. Matter , vol.20 , pp. 494206
- Rodgers, J.M.¹ Weeks, J.D.²

14
- 33646730498
- Local molecular field theory for effective attractions between like charged objects in systems with strong Coulomb interactions
- DOI 10.1073/pnas.0600282103
- Y. G. Chen and J. D. Weeks, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 103, 7560 (2006). 10.1073/pnas.0600282103 (Pubitemid 43752820)
- (2006) Proceedings of the National Academy of Sciences of the United States of America , vol.103 , Issue.20 , pp. 7560-7565
- Chen, Y.-G.¹ Weeks, J.D.²

15
- 33748087819
- Attraction between like-charged walls: Short-ranged simulations using local molecular field theory
- DOI 10.1103/PhysRevLett.97.097801
- J. M. Rodgers, C. Kaur, Y. -G. Chen, and J. D. Weeks, Phys. Rev. Lett. 0031-9007 97, 097801 (2006). 10.1103/PhysRevLett.97.097801 (Pubitemid 44300847)
- (2006) Physical Review Letters , vol.97 , Issue.9 , pp. 097801
- Rodgers, J.M.¹ Kaur, C.² Chen, Y.-G.³ Weeks, J.D.⁴

16
- 58049204384
- 0027-8424. 10.1073/pnas.0807623105
- J. M. Rodgers and J. D. Weeks, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 105, 19136 (2008). 10.1073/pnas.0807623105
- (2008) Proc. Natl. Acad. Sci. U.S.A. , vol.105 , pp. 19136
- Rodgers, J.M.¹ Weeks, J.D.²

17
- 73649094890
- (unpublished)
- J. M. Rodgers and J. D. Weeks (unpublished).
- Rodgers, J.M.¹ Weeks, J.D.²

18
- 11444260155
- Connecting systems with short and long ranged interactions: Local molecular field theory for ionic fluids
- DOI 10.1021/jp0469261
- Y. G. Chen, C. Kaur, and J. D. Weeks, J. Phys. Chem. B 1089-5647 108, 19874 (2004). 10.1021/jp0469261 (Pubitemid 40079485)
- (2004) Journal of Physical Chemistry B , vol.108 , Issue.51 , pp. 19874-19884
- Chen, Y.-G.¹ Kaur, C.² Weeks, J.D.³

19
- 41549153317
- 0021-9606. 10.1063/1.2894478
- N. A. Denesyuk and J. D. Weeks, J. Chem. Phys. 0021-9606 128, 124109 (2008). 10.1063/1.2894478
- (2008) J. Chem. Phys. , vol.128 , pp. 124109
- Denesyuk, N.A.¹ Weeks, J.D.²

20
- 85014175361
- 3rd ed. (Academic, New York)
- J. -P. Hansen and I. R. McDonald, Theory of Simple Liquids, 3rd ed. (Academic, New York, 2006).
- (2006) Theory of Simple Liquids
- Hansen, J.-P.¹ McDonald, I.R.²

21
- 1242346370
- 0022-3654. 10.1021/j100308a038
- H. Berendsen, J. Grigera, and T. Straatsma, J. Phys. Chem. 0022-3654 91, 6269 (1987). 10.1021/j100308a038
- (1987) J. Phys. Chem. , vol.91 , pp. 6269
- Berendsen, H.¹ Grigera, J.² Straatsma, T.³

22
- 73649143273
- (unpublished)
- Z. Hu, J. M. Rodgers, and J. D. Weeks (unpublished).
- Hu, Z.¹ Rodgers, J.M.² Weeks, J.D.³

23
- 36749110864
- 0021-9606. 10.1063/1.434962
- D. Chandler, J. Chem. Phys. 0021-9606 67, 1113 (1977). 10.1063/1.434962
- (1977) J. Chem. Phys. , vol.67 , pp. 1113
- Chandler, D.¹

24
- 36849104182
- 0021-9606. 10.1063/1.1670358
- F. H. Stillinger and R. Lovett, J. Chem. Phys. 0021-9606 49, 1991 (1968). 10.1063/1.1670358
- (1968) J. Chem. Phys. , vol.49 , pp. 1991
- Stillinger, F.H.¹ Lovett, R.²

25
- 0002795674
- 1050-2947. 10.1103/PhysRevA.15.755
- D. M. Ceperley and C. V. Chester, Phys. Rev. A 1050-2947 15, 755 (1977) 10.1103/PhysRevA.15.755;
- (1977) Phys. Rev. A , vol.15 , pp. 755
- Ceperley, D.M.¹ Chester, C.V.²

26
- 36549102345
- 0021-9606. 10.1063/1.451011
- P. Linse and H. C. Andersen, J. Chem. Phys. 0021-9606 85, 3027 (1986). 10.1063/1.451011
- (1986) J. Chem. Phys. , vol.85 , pp. 3027
- Linse, P.¹ Andersen, H.C.²

27
- 34548399330
- Guest editorial: DL-POLY-applications to molecular simulation II
- DOI 10.1080/08927020600987201, PII 771050347
- W. Smith, Mol. Simul. 0892-7022 32, 933 (2006). 10.1080/08927020600987201 (Pubitemid 47355419)
- (2006) Molecular Simulation , vol.32 , Issue.12-13 , pp. 933
- Smith, W.¹

28
- 33750587438
- 0021-9606. 10.1063/1.448118
- H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. Dinola, and J. R. Haak, J. Chem. Phys. 0021-9606 81, 3684 (1984). 10.1063/1.448118
- (1984) J. Chem. Phys. , vol.81 , pp. 3684
- Berendsen, H.J.C.¹ Postma, J.P.M.² Van Gunsteren, W.F.³ Dinola, A.⁴ Haak, J.R.⁵

29
- 33751232728
- 0021-9606. 10.1063/1.433529
- D. Chandler and L. R. Pratt, J. Chem. Phys. 0021-9606 65, 2925 (1976). 10.1063/1.433529
- (1976) J. Chem. Phys. , vol.65 , pp. 2925
- Chandler, D.¹ Pratt, L.R.²

30
- 35949012509
- 0034-6861. 10.1103/RevModPhys.60.1075
- P. Martin, Rev. Mod. Phys. 0034-6861 60, 1075 (1988). 10.1103/RevModPhys.60.1075
- (1988) Rev. Mod. Phys. , vol.60 , pp. 1075
- Martin, P.¹

31
- 33751143432
- 0022-3654. 10.1021/jp951011v
- G. Hummer, L. Pratt, and A. Garcia, J. Phys. Chem. 0022-3654 100, 1206 (1996). 10.1021/jp951011v
- (1996) J. Phys. Chem. , vol.100 , pp. 1206
- Hummer, G.¹ Pratt, L.² Garcia, A.³

32
- 73649145617
- 0026-8976. 10.1080/00268977800101321
- R. Topol and P. Claverie, Mol. Phys. 0026-8976 35, 1753 (1978) 10.1080/00268977800101321;
- (1978) Mol. Phys. , vol.35 , pp. 1753
- Topol, R.¹ Claverie, P.²

33
- 0003890592
- North-Holland, Amsterdam
- D. Chandler, The Liquid State of Matter: Fluids, Simple and Complex (North-Holland, Amsterdam, 1982), p. 275.
- (1982) The Liquid State of Matter: Fluids, Simple and Complex , pp. 275
- Chandler, D.¹

34
- 0003440479
- (Benjamin, New York)
- J. K. Percus, The Equilibrium Theory of Classical Fluids (Benjamin, New York, 1964), p. II-33.
- (1964) The Equilibrium Theory of Classical Fluids , pp. 33
- Percus, J.K.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.