Comment on "ab initio molecular dynamics calculation of ion hydration free energies" [J. Chem. Phys. 130, 204507 (2009)]

Journal of Chemical Physics

Volumn 133, Issue 4, 2010, Pages

  Chen, Edward S ^a   Chen, Edward C M ^b  

^a BAYLOR COLLEGE OF MEDICINE   (United States)

^b UNIVERSITY OF HOUSTON CLEAR LAKE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; DIELECTRIC CONSTANTS; EXPERIMENTAL VALUES; HALOGEN ANIONS; HYDRATION FREE ENERGIES; ION HYDRATION; IONIC RADIUS;

HYDRATION; IONS; MOLECULAR DYNAMICS; POTENTIAL ENERGY;

FREE ENERGY;

BIOPOLYMER; DNA; ION; PROTEIN; RNA; WATER;

ALGORITHM; CALIBRATION; CHEMISTRY; MOLECULAR DYNAMICS; NOTE; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; BIOPOLYMERS; CALIBRATION; DNA; IONS; MOLECULAR DYNAMICS SIMULATION; PROTEINS; QUANTUM THEORY; RNA; THERMODYNAMICS; WATER;

EID: 77955671989     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3456164     Document Type: Review

References (14)

1. K. Leung, S. B. Rempe, and O. A. von Lilienfeld, J. Chem. Phys. JCPSA6 0021-9606 130, 204507 (2009). 10.1063/1.3137054
2. J. D. Bernal and R. H. Fowler, J. Chem. Phys. JCPSA6 0021-9606 1, 515 (1933). 10.1063/1.1749327
3. J. Jortner and R. Noyes, J. Phys. Chem. JPCHAX 0022-3654 70, 770 (1966). 10.1021/j100875a026
4. R. G. Pearson, J. Am. Chem. Soc. JACSAT 0002-7863 108, 6109 (1986). 10.1021/ja00280a002
5. C. P. Kelly, C. J. Cramer, and D. G. Truhlar, J. Phys. Chem. B JPCBFK 1089-5647 110, 16066 (2006). 10.1021/jp063552y
6. W. M. Latimer, K. S. Pitzer, and C. M. Slansky, J. Chem. Phys. JCPSA6 0021-9606 7, 108 (1939). 10.1063/1.1750387
7. H. Ashbaugh and D. Asthagiri, J. Chem. Phys. JCPSA6 0021-9606 129, 204501 (2008). 10.1063/1.3013865
8. L. Pauling, The Nature of the Chemical Bond (Cornell University Press, Ithaca, NY, 1960).
9. D. R. Herschbach, Angew. Chem., Int. Ed. Engl. ACIEAY 0570-0833 26, 1221 (1987). 10.1002/anie.198712211
10. E. C. M. Chen and W. E. Wentworth, J. Phys. Chem. JPCHAX 0022-3654 89, 4099 (1985). 10.1021/j100265a035
11. J. R. Wiley, J. M. Robinson, S. Ehdaie, E. C. M. Chen, E. S. Chen, and W. E. Wentworth, Biochem. Biophys. Res. Commun. BBRCA9 0006-291X 180, 841 (1991). 10.1016/S0006-291X(05)81141-6
12. E. S. Chen and E. C. M. Chen, J. Phys. Chem. A JPCAFH 1089-5639 107, 169 (2003). 10.1021/jp0268922
13. E. S. Chen and E. C. M. Chen, Phys. Rev. A PLRAAN 1050-2947 76, 032508 (2007). 10.1103/PhysRevA.76.032508
14. E. S. Chen and E. C. M. Chen, Mol. Simul. MOSIEA 0892-7022 35, 719 (2009). 10.1080/08927020902865931