Bibliography

[Halgren-1996-1]
T.A. Halgren,
Merck Molecular Force Field: I. Basis, Form, Scope, Parameterization and Performance of MMFF94,
Journal of Computational Chemistry, Vol. 17, No. 5, pp. 490-519, 1996
[Halgren-1996-2]
T.A. Halgren,
Merck Molecular Force Field: II. MMFF94 van der Waals and Electrostatic Parameters for Intermolecular Interactions,
Journal of Computational Chemistry, Vol. 17, No. 5, pp. 520-552, 1996
[Halgren-1996-3]
T.A. Halgren,
Merck Molecular Force Field: III. Molecular Geometries and Vibrational Frequencies,
Journal of Computational Chemistry, Vol. 17, No. 5, pp. 553-586, 1996
[Halgren-1996-4]
T.A. Halgren,
Merck Molecular Force Field: IV. Conformational Energies and Geometries for MMFF94,
Journal of Computational Chemistry, Vol. 17, No. 5, pp. 587-615, 1996
[Halgren-1996-5]
T.A. Halgren,
Merck Molecular Force Field: V. Extension of MMFF94 using Experimental Data, Additional Computational Data and Empirical Rules,
Journal of Computational Chemistry, Vol. 17, No. 5, pp. 616-641, 1996
[Halgren-1999-1]
T.A. Halgren,
MMFF VI. MMFF94s Option for Energy Minimization Studies,
Journal of Computational Chemistry, Vol. 20, No. 5, pp. 720-729, 1999
[Halgren-1999-2]
T.A. Halgren,
MMFF VII. Characterization of MMFF94, MMFF94s and Other Widely Available Force Fields for Conformational Energies and for Intermolecular Interaction Energies and Geometries,
Journal of Computational Chemistry, Vol. 20, No. 5, pp. 730-748, 1999
[Grant-2001]
J.A. Grant, B.T. Pickup and A. Nicholls,
A smooth permittivity function for Poisson–Boltzmann solvation methods,
J. Comput. Chem., Vol. 22, pp. 608-640, 2001
[Jakalian-2002]
A. Jakalian, D.B. Jack and C.I. Bayly,
Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation,
J. Comput. Chem., Vol. 23, pp. 1623–1641, 2002
[Grant-2007]
J.A. Grant, B.T. Pickup, M.J. Sykes, C.A. Kitchen and A. Nicholls,
A Simple Formula for Dielectric Polarization Energies: The Sheffield Solvation Model,
Chem. Phys. Letters, Vol. 441, pp. 163-166, 2007
[Wang-2000]
J. Wang, P. Cieplak and P.A. Kollman,
How well does a Restrained Electrostatic Potential (RESP) model perform in calculating conformational energies of organic and biological molecules?,
Journal of Computational Chemistry, Vol. 21, No. 12, pp. 1049-1074, 2000