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Journal of Chemical Theory and Computation<br />

’ REFERENCES<br />

(1) Jortner, J.; Bixon, M. Electron Transfer - from Isolated Molecules to<br />

Biomolecules; John Wiley and Sons, Inc.: New York, 1999; pp 1.<br />

(2) Schwartz, B.; Rossky, P. J. Chem. Phys. 1994, 101, 6902–6916.<br />

(3) Turi, L.; Sheu, W.; Rossky, P. Science 2005, 309, 914–917.<br />

(4) Harumiya, K.; Kawata, I.; Kono, H.; Fujimura, Y. J. Chem. Phys.<br />

2000, 113, 8953–8960.<br />

(5) Dunn, T.; Broyles, A. Phys. Rev. 1067, 157, 156–166.<br />

(6) Ashcroft, N. J. Phys. C: Proc. Phys. Soc. 1968, 232–243.<br />

(7) Turi, L.; Borgis, D. J. Chem. Phys. 2002, 117, 6186–6195.<br />

(8) Singh, S.; Kumar, S.; Srivastava, M. J. Phys. B.: Atom. Mol. Phys.<br />

1978, 11, 3061–3066.<br />

(9) Filinov, A. V.; Golubnychiy, V.; Bonitz, M.; Ebeling, W.; Dufty, J.<br />

Phys. Rev. E 2004, 70, 046411.<br />

(10) Kimura, M.; Inokuti, M. Phys. Rev. A 1988, 38, 3801–3803.<br />

(11) Avinash, K.; Eliasson, B.; Shukla, P. Phys. Lett. A 2006, 353,<br />

105–108.<br />

(12) Heggie, D.; Hut, P. The Gravitational Million-Body Problem;<br />

Cambridge University Press: Cambridge, U.K., 2003; p 1.<br />

(13) Chambers, J. E. Mon. Not. R. Astron. Soc. 1999, 304, 793–799.<br />

(14) Heggie, D. Introduction to stellar dynamics and N-body integrators.<br />

http://manybody.org/modest/heggie_split.pdf (accessed Nov.<br />

2011).<br />

(15) Paolini, F.; Cabral, E.; dos Santos, A. 36th EPS Conf. Plasma<br />

Phys. Sofia 2009, 33E, O–4.039.<br />

(16) Hernquist, L.; Hut, P.; Makino, J. Astrophys. J. 1993, 402,<br />

L85–L88.<br />

(17) Kustaanheimo, P.; Stiefel, E. J. Reine Angew. Math. 1965, 218,<br />

204–219.<br />

(18) Vivarelli, M. D. Celest. Mech. Dyn. Astron. 1985, 36, 349–364.<br />

(19) Neutsch, W. Quaternionic regularisation of perturbed <strong>Kepler</strong><br />

motion; Preprint, 1991.<br />

(20) Aarseth, S. Direct methods for N-body simulations. In Multiple<br />

Time Scales; Brackbill, J., Cohen, B., Eds.; Academic Press: New York,<br />

1985; pp 377 418.<br />

(21) Aarseth, S. J. Gravitational N-Body Simulations; Cambridge<br />

University Press: Cambridge, U.K., 2003; Cambridge monographs on<br />

mathematical physics, p 1.<br />

(22) Aarseth, S. N-Body Simulation Software. http://www.ast.cam.ac.<br />

uk/∼sverre/ (accessed Nov. 2011).<br />

(23) Kleppner, D.; Kolenkow, R. J. An Introduction to Mechanics, 1st<br />

ed.; Cambridge University Press: Cambridge, U.K., 2010; pp 414 416.<br />

(24) Tuckerman, M.; Martyna, G.; Berne, B. J. Chem. Phys. 1990,<br />

93, 1287.<br />

(25) Tuckerman, M.; Berne, B.; Martyna, G. J. Chem. Phys. 1992, 97,<br />

1990.<br />

(26) Janezic, D.; Merzel, F. J. Chem. Inf. Comput. Sci. 1995, 35,<br />

321–32.<br />

(27) Janezic, D.; Merzel, F. J. Chem. Inf. Comput. Sci. 1997, 37,<br />

1048–1054.<br />

(28) Janezic, D.; Praprotnik, M. Int. J. Quantum Chem. 2001, 84,<br />

2–12.<br />

(29) Janezic, D.; Praprotnik, M. J. Chem. Inf. Comput. Sci. 2003,<br />

43, 1922–1927.<br />

(30) Miyamoto, S.; Kollman, P. A. J. Comput. Chem. 1992, 13,<br />

952–962.<br />

(31) Zwicknagel, G.; Toepffer, C.; Reinhard, P.-G. Phys. Rep. 1999,<br />

309, 117–208.<br />

(32) Broucke, R. Astrophys. Space Sci. 1980, 72, 33–53.<br />

(33) Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids;<br />

Oxford Science Publications: Oxford, 1987; p 25.<br />

(34) Vesely, F. J. Computational Physics - An Introduction, 2nd ed.;<br />

Kluwer Academic/Plenum Publishers: New York London, 2001;<br />

p 107.<br />

(35) Swope, W. C.; Andersen, H.; Berens, P. H.; Wilson, K. R.<br />

J. Chem. Phys. 1982, 76, 637–649.<br />

(36) Condurache, D.; Martinusi, V. Meccanica 2007, 42, 465–476.<br />

ARTICLE<br />

(37) Odell, A. W.; Gooding, R. H. Celestial Mechanics 1986,<br />

38, 307–334.<br />

(38) Gooding, R. H.; Odell, A. W. Celestial Mechanics 1988, 44,<br />

267–282.<br />

(39) Wigner, E. Phys. Rev. 1932, 40, 949–759.<br />

(40) Feit, M. D.; J. A. Fleck, J.; Steiger, A. J. Comput. Phys. 1982,<br />

47, 412–433.<br />

(41) Feit, M. D.; J. A. Fleck, J. J. Chem. Phys. 1983, 78, 301.<br />

(42) Box, G.; Muller, M. E. Ann. Math. Stat. 1958, 29, 610–611.<br />

(43) Graziani, F. R.; Batista, V. S.; Benedict, L. X.; Castor, J. I.; Chen,<br />

H.; Chen, S. N.; Fichtl, C. A.; Glosli, J. N.; Grabowski, P. E.; Graf, A. T.;<br />

Hau-Riege, S. P.; Hazi, A. U.; Khairallah, S. A.; Krauss, L.; Langdon, A.<br />

B.; London, R. A.; Markmann, A.; Murillo, M. S.; Richards, D. F.; Scott,<br />

H. A.; Shepherd, R.; Stanton, L. G.; Streitz, F. H.; Surh, M. P.; Weisheit,<br />

J. C.; Whitley, H. D. High Energy Dens. Phys. 2011; DOI: 10.1016/<br />

j.hedp.2011.06.010.<br />

(44) Iafrate, G. J.; Mendelsohn, L. B. Phys. Rev. 1969, 182, 244–258.<br />

35 dx.doi.org/10.1021/ct200452h |J. Chem. Theory Comput. 2012, 8, 24–35

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