Useful Literature
GDMA
Stone, A. J., Chem. Phys. Lett., 1981, 83, 233−239.
Stone, A. J., Alderton, M. Mol. Phys., 1985, 56, 1047−1064
Stone, A.J., J. Chem. Theory Comput., 2005, 1, 1128.
MULFIT
Winn, P. J., Ferenczy, G. G., and Reynolds, C. A., J. Phys. Chem. A, 1997. 101, 5437.
Winn, P. J., Ferenczy, G. G., and Reynolds, C. A., J. Phys. Chem. A, 1997. 101, 5446.
Quasirandom Sampling
Case, D. H., Campbell, J. E., Bygrave, P. J., & Day, G. M. (2016). Convergence Properties of Crystal Structure Prediction by Quasi-Random Sampling. Journal of Chemical Theory and Computation, 12(2), 910–924
DMACRYS/NEIGHCRYS
Price, S. L., Leslie, M., Welch, G. W. A., Habgood, M., Price, L. S., Karamertzanis, P. G., & Day, G. M. (2010). Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials. Physical Chemistry Chemical Physics, 12(30), 8478
Willock, D. J., Price, S. L., Leslie, M., & Catlow, C. R. A. (1995). The relaxation of molecular crystal structures using a distributed multipole electrostatic model. Journal of Computational Chemistry, 16(5), 628–647
FIT
D. S. Coombes, S. L. Price, D. J. Willock and M. Leslie (1996), Role of Electrostatic Interactions in Determining the Crystal Structures of Polar Organic Molecules. A Distributed Multipole Study J. Phys. Chem. 100, 7352-7360
D. E. Williams and D. J. Houpt (1986). Fluorine nonbonded potential parameters derived from crystalline perfluorocarbons Acta Cryst. B42, 286-295
Williams, D. E.; Cox, S. R. (1984). Nonbonded potentials for azahydrocarbons: the importance of the Coulombic interaction. Acta Crystallographica Section B Structural Science, 40(4), 404–417.
S. R. Cox, L.-Y. Hsu and D. E. Williams (1981). Nonbonded potential function models for crystalline oxohydrocarbons. Acta Cryst. A37, 293-301
W99
Williams, D. E. (2001). Improved intermolecular force field for molecules containing H, C, N, and O atoms, with application to nucleoside and peptide crystals. Journal of Computational Chemistry, 22(11), 1154–1166.
Williams, D. E. (2000). Improved intermolecular force field for crystalline oxohydrocarbons including O-H…O hydrogen bonding. Journal of Computational Chemistry, 22(1), 1–20.
Williams, D. E. (1999). Improved intermolecular force field for crystalline hydrocarbons containing four- or three-coordinated carbon. Journal of Molecular Structure, 485-486, 321–347.
W99rev
Pyzer-Knapp, E. O., Thompson, H. P. G., & Day, G. M. (2016). An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 72(4), 477–487.
Other
Starr, T. L., & Williams, D. E. (1977). Comparison of models for H2–H2 and H2–He anisotropic intermolecular repulsion. The Journal of Chemical Physics, 66(5), 2054–2057. doi:10.1063/1.434165