Thermodynamic stability of zimmerman self-assembled dendritic supramolecules from atomistic molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 108, Issue 28, 2004, Pages 10041-10052

  Lin, Shiang Tai ^a   Jang, Seung Soon ^a   Çaǧm, Tahir ^a   Goddard III, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPUTER SIMULATION; ENTHALPY; FOURIER TRANSFORMS; FREE ENERGY; HYDROGEN BONDS; SELF ASSEMBLY; SIZE EXCLUSION CHROMATOGRAPHY; THERMODYNAMIC STABILITY; VAN DER WAALS FORCES;

DENSITY OF STATE (DOS); QUASI-HARMONIC APPROXIMATION; VELOCITY AUTOCORRELATION FUNCTION; VELOCITY SPECTRUM METHOD;

MOLECULAR DYNAMICS;

EID: 3442888247     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037947i     Document Type: Article

References (25)

1. Watson, J. D.; Crick, F. H. C. Nature 1953, 171, 737.
2. Dickerson, R. E.; Geis, I. Hemoglobin: Structure, Function, Evolution, and Pathology; Benjamin Cumming Publishing Co.: Reading, MA, 1983.
3. Westhof, E.; Leontis, N. Angew. Chem., Int. Ed. 2000, 39 (9), 1587.
4. Lehn, J.-M. Angew. Chem., Int. Ed. Engl. 1988, 27, 89.
5. Zimmerman, S. C.; Corbin, P. S. Struct. Bonding 2000, 96, 63.
6. Lawrence, D. S.; Jiang, T.; Levett, M. Chem. Rev. 1995, 95, 2229.
7. Whitesides, G. M.; Mathias, J. P.; Seto, C. T. Science 1991, 254, 1312.
8. Philip, D.; Stoddart, J. F. Angew. Chem., Int. Ed. Engl. 1996, 35, 1154.
9. Lindsey, J. S. New J. Chem. 1991, 15, 153.
10. Niemeyer, C. M.; Adler, M. Angew. Chem., Int. Ed. 2002, 41 (20), 3779.
11. Niemeyer, C. M. Angew. Chem., Int. Ed. 2001, 40, 4128.
12. Mao, C.; Sun, W.; Shen, Z.; Seeman, N. C. Nature 1999, 397, 144.
13. Seeman, N. C. Angew. Chem., Int. Ed. 1998, 37, 3220.
14. Corbin, P. S.; Lawless, L. J.; Li, Z. T.; Ma, Y. G.; Witmer, M. J.; Zimmerman, S. C. Proc. Natl. Acad. Sci. U.S.A. 2002, 99 (8), 5099.
15. Zeng, F.; Zimmerman, S. C. Chem. Rev. 1997, 97, 1681.
16. Zimmerman, S. C.; Zeng, F. W.; Reichert, D. E. C.; Kolotuchin, S. V. Science 1996, 277 (5252), 1095.
17. Berens, P. H.; Mackay, D. H. J.; White, G. M.; Wilson, K. R. J. Chem. Phys. 1983, 79 (5), 2375.
18. Karplus, M.; Kushick, J. N. Macromolecules 1981, 14 (2), 325.
19. Levy, R. M.; Karplus, M.; Kushick, J.; Perahia, D. Macromolecules 1984, 17 (7), 1370.
20. Lin, S. T.; Blanco, M.; Goddard, W. A., III. J. Chem. Phys. 2003, 779 (22), 11792.
21. Cerius2 Modeling Environment, release 4.0.; Accelrys Inc.: San Diego, CA, 1999.
22. Mayo, S. L.; Olafson, B. D.; Goddard, W. A., III. J. Phys. Chem. 1990, 94, 8897.
23. Rappe, A. K.; Goddard, W. A., III. J. Phys. Chem. 1991, 95, 3358.
24. Press, W. H.; Flannery, B. P.; Teukolsky, S. A.; Vetterling, W. T. Numerical Recipes-The Art of Scientific Computing; Cambridge: New York, 1986.
25. Berens, P. H.; Wilson, K. R. J. Chem. Phys. 1981, 74 (9), 4872.