Bibliography

1

Smith, W., and Forester, T., 1996, J. Molec. Graphics, 14, 136.

2

Smith, W., 1987, Molecular Graphics, 5, 71.

3

van Gunsteren, W. F., and Berendsen, H. J. C.
1987, Groningen Molecular Simulation (GROMOS) Library Manual.
BIOMOS, Nijenborgh, 9747 Ag Groningen, The Netherlands.
Standard GROMOS reference.

4

Weiner, S. J., Kollman, P. A., Nguyen, D. T., and Case, D. A., 1986, J. Comp. Chem., 7, 230.

5

Brünger, A. T.
1992, X-PLOR: A System for X-Ray Crystallography and NMR.
New Haven and London: Yale University Press.

6

Price, S. L., Stone, A. J., and Alderton, M., 1984, Mol. Phys., 52, 987-1001.

7

Sutton, A. P., and Chen, J., 1990, Philos. Mag. Lett., 61, 139.

8

Mayo, S., Olafson, B., and Goddard, W., 1990, J. Phys. Chem., 94, 8897.

9

Smith, W., 2003, Daresbury Laboratory.

10

Smith, W., and Forester, T. R., 1994, Comput. Phys. Commun., 79, 52.

11

Smith, W., and Forester, T. R., 1994, Comput. Phys. Commun., 79, 63.

12

Allen, M. P., and Tildesley, D. J.
1989, Computer Simulation of Liquids.
Oxford: Clarendon Press.

13

Ryckaert, J. P., Ciccotti, G., and Berendsen, H. J. C., 1977, J. Comput. Phys., 23, 327.

14

Fincham, D., 1992, Molecular Simulation, 8, 165.

15

Forester, T., and Smith, W.

16

Berendsen, H. J. C., Postma, J. P. M., van Gunsteren, W., DiNola, A., and Haak, J. R., 1984, J. Chem. Phys., 81, 3684.

17

Evans, D. J., and Morriss, G. P., 1984, Computer Physics Reports, 1, 297.

18

Hoover, W. G., 1985, Phys. Rev., A31, 1695.

19

Tuckerman, M., Berne, B., and Rossi, A., 1990, J. Chem. Phys., 94, 1465.

20

Stuart, S., Zhou, R., and Berne, B., 1996, J. Chem. Phys., 105, 1426.

21

Procacci, P., and Marchi, M., 1996, J. Chem. Phys., 104, 3003.

22

Brode, S., and Ahlrichs, R., 1986, Comput. Phys. Commun., 42, 41.

23

Hockney, R. W., and Eastwood, J. W.
1981, Computer Simulation Using Particles.
McGraw-Hill International.

24

Vessal, B., 1994, J. Non-Cryst. Solids, 177, 103.

25

Smith, W., Greaves, G. N., and Gillan, M. J., 1995, J. Chem. Phys., 103, 3091.

26

Smith, W., 1993, CCP5 Information Quarterly, 39, 14.

27

Clarke, J. H. R., Smith, W., and Woodcock, L. V., 1986, J. Chem. Phys., 84, 2290.

28

Finnis, M. W., and Sinclair, J. E., 1984, Philos. Mag. A, 50, 45.

29

Eastwood, J. W., Hockney, R. W., and Lawrence, D. N., 1980, Comput. Phys. Commun., 19, 215.

30

Smith, W., and Fincham, D., 1993, Molecular Simulation, 10, 67.

31

Essmann, U., Perera, L., Berkowitz, M. L., Darden, T., Lee, H., and Pedersen, L. G., 1995, J. Chem. Phys., 103, 8577.

32

Hautman, J., and Klein, M. L., 1992, Molec. Phys., 75, 379.

33

Neumann, M., 1985, J. Chem. Phys., 82, 5663.

34

Fincham, D., and Mitchell, P. J., 1993, J. Phys. Condens. Matter, 5, 1031.

35

Lindan, P. J. D., and Gillan, M. J., 1993, J. Phys. Condens. Matter, 5, 1019.

36

McCammon, J. A., and Harvey, S. C.
1987, Dynamics of Proteins and Nucleic Acids.
Cambridge: University Press.

37

Brown, D., and Clarke, J. H. R., 1984, Molec. Phys., 51, 1243.

38

Melchionna, S., Ciccotti, G., and Holian, B. L., 1993, Molec. Phys., 78, 533.

39

Tildesley, D. J., Streett, W. B., and Saville, G., l978, Molec. Phys, 35, 639.

40

Tildesley, D. J., and Streett, W. B.
Multiple time step methods and an improved potential function for molecular dynamics simulations of molecular liquids.
In Lykos, P., editor, Computer Modelling of Matter. ACS Symposium Series No. 86, 1978.

41

Forester, T., and Smith, W., 1994, Molecular Simulation, 13, 195.

42

Smith, W., 1991, Comput. Phys. Commun., 62, 229.

43

Smith, W., 1993, Theoretica. Chim. Acta., 84, 385.

44

Smith, W., 1992, Comput. Phys. Commun., 67, 392.

45

Vessal, B., Amini, M., Leslie, M., and Catlow, C. R. A., 1990, Molecular Simulation, 5, 1.

46

Melchionna, S., and Cozzini, S., 1998, University of Rome.

47

Stone, A.
In Maksic, Z. B., editor, Theoretical Models of Chemical Bonding, Part 4. Springer-Verlag, 1991.