References
- Leffingwell, JC, 2003. Chiral. Bioact. I: Pharmacol 3 (2003), p. 1.
- Halliwell, B, and Gutteridge, JMC, 1999. Free Radicals in Biology and Medicine. Oxford: Oxford University Press; 1999.
- Khan, MMT, and Martell, AE, 1967. J. Am. Chem. Soc 89 (1967), p. 4176.
- Njus, D, and Kelley, PM, 1991. FEBS Lett 284 (1991), p. 147.
- Bisby, RH, Morgan, CG, Hamblett, I, and Gorman, AA, 1999. J. Phys. Chem. A 103 (1999), p. 7454.
- Davies, MB, Austin, J, and Partridge, DA, 1991. Vitamin C: Its Chemistry and Biochemistry. UK: RSC Publications; 1991.
- Bisby, RH, and Parker, AW, 1995. Arch. Biochem. Biophys 317 (1995), p. 170.
- van Acker, SABE, de Groot, MJ, van den Berg, D-J, Tromp, MNJL, Donne-Op den Kelder, G, van der Vijgh, WJF, and Bast, A, 1996. Chem. Res. Toxicol. 9 (1996), p. 1305.
- Fessenden, RW, and Schuler, RH, 1970. Adv. Radiat. Chem 2 (1970), p. 103.
- Laroff, GP, Fessenden, RW, and Schuler, HR, 1972. J. Am. Chem. Soc 94 (1972), p. 9062.
- Malley, PJO′, 2001. J. Phys. Chem. B 105 (2001), p. 11290.
- Rega, N, Cossi, M, and Barone, V, 1996. J. Chem. Phys 105 (1996), p. 11060.
- Improta, R, and Barone, V, 2004. Chem. Rev 104 (2004), p. 1231.
- Wu, P, and O'Malley, PJ, 2005. J. Molec. Struct.: THEOCHEM 730 (2005), p. 251.
- Chipman, DM, 200. J. Phys. Chem. A 104 (200), p. 11816.
- Ciofini, I, Reviakine, R, Arbuznikov, A, and Kaupp, M, 2004. Theor. Chem. Acc 111 (2004), p. 132.
- Gaigeot, MP, and Sprik, M, 2003. J. Phys. Chem. B 107 (2003), p. 10344.
- Asher, JR, Doltsinis, NL, and Kaupp, M, 2004. J. Am. Chem. Soc 126 (2004), p. 9854.
- Njus, D, and Kelley, PM, 1993. Biochim. Biophys. Acta 1144 (1993), p. 235.
- Becke, AD, 1988. Phys. Rev. A 38 (1988), p. 3098.
- Lee, C, Yang, W, and Parr, RG, 1988. Phys. Rev. B 37 (1988), p. 785.
- The CP2K Developers Group, http://cp2k.berlios.de/.
- VandeVondele, J, Krack, M, Mohamed, F, Parrinello, M, Chassaing, T, and Hutter, J, 2005. Comp. Phys. Commun 167 (2005), p. 103.
- Lippert, G, Hutter, J, and Parrinello, M, 1997. Molec. Phys 92 (1997), p. 477.
- VandeVondele, J, and Hutter, J, 2003. J. Chem. Phys 118 (2003), p. 4365.
- Goedecker, S, Teter, M, and Hutter, J, 1996. Phys. Rev. B 54 (1996), p. 1703.
- Hartwigsen, C, Goedecker, S, and Hutter, J, 1998. Phys. Rev. B 58 (1998), p. 3641.
- Frisch, MJ, Trucks, GW, Schlegel, HB, Scuseria, GE, Robb, MA, Cheeseman, JR, Montgomery, JA, Vreven, T, Kudin, KN, Burant, JC, Millam, JM, Iyengar, SS, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, GA, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, JE, Hratchian, HP, Cross, JB, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, RE, Yazyev, O, Austin, AJ, Cammi, R, Pomelli, C, Ochterski, JW, Ayala, PY, Morokuma, K, Voth, GA, Salvador, P, Dannenberg, JJ, Zakrzewski, VG, Dapprich, S, Daniels, AD, Strain, MC, Farkas, O, Malick, DK, Rabuck, AD, Raghavachari, K, Foresman, JB, Ortiz, JV, Cui, Q, Baboul, AG, Clifford, S, Cioslowski, J, Stefanov, BB, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, RL, Fox, DJ, Keith, T, Al-Laham, MA, Peng, CY, Nanayakkara, A, Challacombe, M, Gill, PMW, Johnson, B, Chen, W, Wong, MW, Gonzalez, C, and Pople, JA, 2004. Revision C.02. Wallingford, CT: Gaussian, Inc; 2004, Gaussian 03 is a package written by .
- Becke, AD, 1993. J. Chem. Phys 98 (1993), p. 5648.
- Nosé, S, 1984. J. Chem. Phys 81 (1984), p. 511.
- Case, DA, Darden, TA, Cheatham, TE, Simmerling, CL, Wang, J, Duke, RE, Luo, R, Merz, KM, Wang, B, Pearlman, DA, Crowley, M, Brozell, S, Tsui, V, Gohlke, H, Mongan, J, Hornak, V, Cui, G, Beroza, P, Schafmeister, C, Caldwell, JW, Ross, WS, and Kollman, PA, 2004. San Francisco: University of California; 2004, AMBER 8 is a package written by III.
- Berendsen, HJC, Grigera, JR, and Straatsma, TP, 1987. J. Phys. Chem 91 (1987), p. 6269.
- Straatsma, TP, and Berendsen, HJC, 1988. J. Chem. Phys 89 (1988), p. 5876.
- Bayly, CI, Cieplak, P, Cornell, W, and Kollman, PA, 1993. J. Phys. Chem 97 (1993), p. 10269.
- Cornell, WD, Cieplak, P, Bayly, CI, and Kollman, PA, 1993. J. Am. Chem. Soc 115 (1993), p. 9620.
- VandeVondele, J, Mohamed, F, Krack, M, Hutter, J, Sprik, M, and Parrinello, M, 2005. J. Chem. Phys 122 (2005), p. 014515.
- Todorova, T, Seitsonen, AP, Hutter, J, Kuo, IW, and Mundy, CJ, 2006. J. Phys. Chem. B 110 (2006), p. 3685.
- Milanesio, M, Bianchi, R, Ugliengo, P, Roetti, C, and Viterbo, D, 1997. J. Molec. Struct.: THEOCHEM 419 (1997), p. 139.
- Boero, M, Parrinello, M, Terakura, K, Ikeshoji, T, and Liew, CC, 2003. Phys. Rev. Lett 90 (2003), p. 226403.
- Cox, SR, and Williams, DE, 1981. J. Comput. Chem 2 (1981), p. 304.
- VandeVondele, J, and Sprik, M, 2005. Phys. Chem. Chem. Phys 7 (2005), p. 1363.
- Vassilev, P, Louwerse, MJ, and Baerends, EJ, 2004. Chem. Phys. Lett 398 (2004), p. 212.
- VandeVondele, J, Lynden-Bell, R, Meijer, EJ, and Sprik, M, 2006. J. Phys. Chem. B 110 (2006), p. 3614.
- VandeVondele, J, Sulpizi, M, and Sprik, M, 2006. Angew. Chem. Int. Ed 45 (2006), p. 1936.