Cutoff radius effect of the isotropic periodic sum method in homogeneous system. II. Water

Journal of Chemical Physics

Volumn 133, Issue 1, 2010, Pages

  Takahashi, Kazuaki ^a   Narumi, Tetsu ^a,b   Yasuoka, Kenji ^a  

^a KEIO UNIVERSITY   (Japan)

^b UNIVERSITY OF ELECTRO COMMUNICATIONS   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BULK WATER; CUTOFF DISTANCE; CUTOFF RADIUS; DIFFUSION COEFFICIENTS; DIPOLE-DIPOLE CORRELATION; HOMOGENEOUS SYSTEM; INTERMOLECULAR DISTANCE; ISOTROPIC PERIODIC SUM METHODS; LIQUID STRUCTURES; LONG RANGE INTERACTIONS; MOLECULAR DYNAMICS SIMULATIONS; RADIAL DISTRIBUTION FUNCTIONS; REACTION FIELDS; SELF-DIFFUSION COEFFICIENTS; SWITCH FUNCTION; TRANSPORT COEFFICIENT;

DIFFUSION; DISTRIBUTION FUNCTIONS; LIQUIDS; MOLECULAR DYNAMICS; REACTION KINETICS;

SWITCHING SYSTEMS;

EID: 77954576665     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3462241     Document Type: Article

References (19)

1. X. Wu and B. R. Brooks, J. Chem. Phys. JCPSA6 0021-9606 122, 044107 (2005). 10.1063/1.1836733 (Pubitemid 41047582)
2. J. B. Klauda, X. Wu, R. W. Pastor, and B. R. Brooks, J. Phys. Chem. B JPCBFK 1089-5647 111, 4393 (2007). 10.1021/jp068767m (Pubitemid 46787633)
3. X. Wu and B. R. Brooks, J. Chem. Phys. JCPSA6 0021-9606 129, 154115 (2008). 10.1063/1.2992601
4. K. Takahashi, K. Yasuoka, and T. Narumi, J. Chem. Phys. JCPSA6 0021-9606 127, 114511 (2007). 10.1063/1.2775929 (Pubitemid 47462024)
5. Y. Yonetani, Chem. Phys. Lett. CHPLBC 0009-2614 406, 49 (2005). 10.1016/j.cplett.2005.02.073 (Pubitemid 40454444)
6. P. E. Smith and W. F. J. van Gunsteren, J. Chem. Phys. JCPSA6 0021-9606 100, 3169 (1994). 10.1063/1.466407
7. D. van der Spoel, P. J. van Maaren, and H. J. C. Berendsen, J. Chem. Phys. JCPSA6 0021-9606 108, 10220 (1998). 10.1063/1.476482
8. D. van der Spoel and P. J. van Maaren, J. Chem. Theory Comput. JCTCCE 1549-9618 2, 1 (2006). 10.1021/ct0502256
9. Y. Yonetani, J. Chem. Phys. JCPSA6 0021-9606 124, 204501 (2006). 10.1063/1.2198208 (Pubitemid 43838623)
10. M. W. Mahoney and W. L. Jorgensen, J. Chem. Phys. JCPSA6 0021-9606 112, 8910 (2000). 10.1063/1.481505
11. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. JPCHAX 0022-3654 91, 6269 (1987). 10.1021/j100308a038
12. P. P. Ewald, Ann. Phys. ANPYA2 0003-3804 369, 253 (1921). 10.1002/andp.19213690304
13. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
14. H. C. Andersen, J. Chem. Phys. JCPSA6 0021-9606 52, 24 (1983).
15. C. Hoheisel, J. Chem. Phys. JCPSA6 0021-9606 86, 2328 (1987). 10.1063/1.452131
16. C. Hoheisel, R. Vogelsang, and M. Schoen, J. Chem. Phys. JCPSA6 0021-9606 87, 7195 (1987). 10.1063/1.453362
17. M. Neumann and O. Steinhauser, Mol. Phys. MOPHAM 0026-8976 39, 437 (1980). 10.1080/00268978000100361
18. H. E. Alper and R. M. Levy, J. Chem. Phys. JCPSA6 0021-9606 91, 1242 (1989). 10.1063/1.457198
19. P. Mark and L. Nilsson, J. Comput. Chem. JCCHDD 0192-8651 23, 1211 (2002). 10.1002/jcc.10117 (Pubitemid 35009213)