Quantum energy flow and the kinetics of water shuttling between hydrogen bonding sites on trans-formanilide

Journal of Chemical Physics

Volumn 127, Issue 6, 2007, Pages

  Agbo, Johnson K ^a   Leitner, David M ^a   Myshakin, Evgeniy M ^b,c   Jordan, Kenneth D ^d  

^a UNIVERSITY OF NEVADA   (United States)

^b NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^c PARSONS CORPORATION   (United States)

^d UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY TRANSFER; ERGONOMICS; HYDROGEN BONDS; ISOMERIZATION; KINETIC PARAMETERS; MONOMERS; QUANTUM EFFICIENCY; RATE CONSTANTS;

ERGODICITY THRESHOLD; HYDROGEN BONDING SITES; WATER SHUTTLING;

WATER;

FORMAMIDE DERIVATIVE; FORMANILIDE; N-PHENYLFORMAMIDE; PEPTIDE; UNCLASSIFIED DRUG; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; ENERGY TRANSFER; HYDROGEN BOND; KINETICS; METHODOLOGY; PHYSICAL CHEMISTRY; QUANTUM THEORY; THEORETICAL MODEL; THERMODYNAMICS;

CHEMISTRY, PHYSICAL; ELECTRONS; ENERGY TRANSFER; FORMAMIDES; HYDROGEN BONDING; KINETICS; MODELS, CHEMICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PEPTIDES; QUANTUM THEORY; THERMODYNAMICS; WATER;

EID: 34547881564     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2754689     Document Type: Article

References (40)

1. A. R. Bizzarri and S. Cannistraro, J. Phys. Chem. B 106, 6617 (2002).
2. M. Tarek and D. J. Tobias, Phys. Rev. Lett. 88, 138101 (2002).
3. D. M. Leitner, M. Havenith, and M. Gruebele, Int. Rev. Phys. Chem. 25, 553 (2006).
4. U. Heugen, G. Schwaab, E. Bründermann, M. Heyden, X. Yu, D. M. Leitner, and M. Havenith, Proc. Natl. Acad. Sci. U.S.A. 103, 12301 (2006).
5. D. Russo, G. Hura, and T. Head-Gordon, Biophys. J. 86, 1852 (2004).
6. S. L. Lee, P. G. Debenedetti, and J. R. Errington, J. Chem. Phys. 122, 204511 (2005).
7. X. Yu, J. Park, and D. M. Leitner, J. Phys. Chem. B 107, 12820 (2003).
8. B. Bagchi, Chem. Rev. (Washington, D.C.) 105, 3197 (2003).
9. P. W. Fenimore, H. Frauenfelder, B. H. McMahon, and F. G. Parak, Proc. Natl. Acad. Sci. U.S.A. 99, 16047 (2002).
10. J. R. Clarkson, E. Baquero, V. A. Shubert, E. M. Myshakin, K. D. Jordan, and T. S. Zwier, Science 307, 1443 (2005).
11. T. S. Zwier, J. Phys. Chem. A 110, 4133 (2006).
12. T. Baer and W. L. Hase, Unimolecular Reaction Dynamics (Oxford University Press, New York, 1996).
13. S. Nordholm, Chem. Phys. 137, 109 (1989).
14. D. Chandler and R. A. Kuharski, Faraday Discuss. Chem. Soc. 85, 329 (1988).
15. D. M. Leitner and P. G. Wolynes, Chem. Phys. Lett. 280, 411 (1997).
16. D. M. Leitner, Int. J. Quantum Chem. 75, 523 (1999).
17. D. M. Leitner, B. Levine, J. Quenneville, T. J. Martinez, and P. G. Wolynes, J. Phys. Chem. A 107, 10706 (2003).
18. D. M. Leitner, Adv. Chem. Phys. 130B, 205 (2005).
19. J. K. Agbo, D. M. Leitner, D. A. Evans, and D. J. Wales, J. Chem. Phys. 123, 124304 (2005).
20. D. M. Campbell, M. Mackowiak, and J. Jonas, J. Chem. Phys. 96, 2717 (1992).
21. P. M. Felker, and A. H. Zewail, J. Phys. Chem. 89, 5402 (1985).
22. J. C. Keske and B. H. Pate, Annu. Rev. Phys. Chem. 51, 323 (2000).
23. T. Baer and A. R. Potts, J. Phys. Chem. A 104, 9397 (2000).
24. B. C. Dian, A. Longarte, and T. S. Zwier, Science 296, 2369 (2002).
25. J. R. Barker, P. J. Stimac, K. D. King, and D. M. Leitner, J. Phys. Chem. A 110, 2944 (2006).
26. D. E. Logan and P. G. Wolynes, J. Chem. Phys. 93, 4994 (1990).
27. D. M. Leitner and P. G. Wolynes, J. Chem. Phys. 105, 11226 (1996).
28. R. Bigwood, M. Gruebele, D. M. Leitner, and P. G. Wolynes, Proc. Natl. Acad. Sci. U.S.A. 95, 5960 (1998).
29. R. Bigwood and M. Gruebele, Chem. Phys. Lett. 235, 604 (1995).
30. A. A. Maradudin and A. E. Fein, Phys. Rev. 128, 2589 (1962).
31. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
32. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1998).
33. M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
34. D. R. Alfonso and K. D. Jordan, J. Chem. Phys. 116, 3612 (2002).
35. M. J. Frisch, G. W. Truck, H. B. Schiegel, GAUSSIAN 03 Software Suite, Gaussian, Inc., Pittsburgh, PA, 2003.
36. R. A. Kendall, T. H. Dunning, and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
37. V. Barone, J. Chem. Phys. 122, 014108 (2005).
38. D. M. Leitner and P. G. Wolynes, Chem. Phys. 329, 163 (2006).
39. A. Semparithi and S. Keshavamurthy, J. Chem. Phys. 125, 141101 (2006).
40. J. R. Clarkson, J. M. Herbert, and T. S. Zwier, J. Chem. Phys. 126, 134306 (2007).