References
References
- Garret RH Grisham CM 1999 Biochemistry Orlando Harcourt Brace
- Nagy , PI and Noszál , B . 2000 . J. phys. Chem. A , 104 : 6834
- Perdew JP Burke K Ernzerhof M 1996 Phys. Rev. Lett. 77 3865 Erratum: 1997 ibid., 78, 1396
- Parr RG Yang W 1989 Density Functional Theory of Atoms and Molecules Oxford Clarendon Press
- Perdew , JP , Ernzerhof , M , Zupan , A and Burke , K . 1998 . Adv. quantum Chem. , 33 : 1
- Methfessel M van Schilfgaarde M 1993 Phys. Rev. B 48 4937 Methfessel, M., van Schilfgaarde, M., and Scheffler, M., 1993, Phys. Rev. Lett., 70, 29; Bott, E., Methfessel, M., Krabs, W., and Schmidt, P. C., 1998, J. math. Phys., 39, 3393
- Fletcher , R and Powell , MJD . 1964 . Comp. J. , 6 : 163
- Nosé J 1984 J. chem. Phys. 81 511 Nosé, J., 1984, Molec. Phys., 52, 255; Hoover, W. G., 1985, Phys. Rev. A, 31, 1695
- Sprik , M , Hutter , J and Parrinello , M . 1996 . J. chem. Phys. , 105 : 1142
- Braly , LB , Cruzan , JD , Liu , K , Fellers , RS and Saykally , RJ . 2000 . J. chem. Phys. , 112 : 10293
- Grubmüller H 1996 http://www.mpibpc.gwdg.de/abteilungen/071/solvate/docu.html Göttingen Max-Planck-Institut für biophysikalische Chemie
- Hassinen T Peräkyla M 2001 J. comput. Chem. 22 1229 http://bioinformatics.org/ghemical
- Clark , M , Cramer , RD and van Opdenbosch , N . 1989 . J. comput. Chem. , 10 : 982
- http://jmol.sourceforge.net
- Jensen , JH and Gordon , MS . 1995 . J. Am. chem. Soc. , 117 : 8159