References#
- 1
Viloya S. Allured, Christine M. Kelly, and Clark R. Landis. SHAPES empirical force field: new treatment of angular potentials and its application to square-planar transition-metal complexes. Journal of the American Chemical Society, 113(1):1–12, 1991. doi:10.1021/ja00001a001.
- 2
Norman L. Allinger, Young H. Yuh, and Jenn-Huei Lii. Molecular mechanics. The MM3 force field for hydrocarbons. 1. Journal of the American Chemical Society, 111(23):8551–8566, 1989. doi:10.1021/ja00205a001.
- 3
E. Bright Wilson, Jr., J. C. Decius, and Paul C. Cross. Molecular Vibrations: The Theory of Infrared and Raman Vibrational Spectra. Dover Publications, Inc., New York, 1980. ISBN 9780486639413.
- 4
Glenn J. Martyna, Mark E. Tuckerman, Douglas J. Tobias, and Michael L. Klein. Explicit reversible integrators for extended systems dynamics. Molecular Physics, 87(5):1117–1157, 1996. doi:10.1080/00268979600100761.
- 5
Scott E. Feller, Yuhong Zhang, Richard W. Pastor, and Bernard R. Brooks. Constant pressure molecular dynamics simulation: The Langevin piston method. The Journal of Chemical Physics, 103(11):4613–4621, 1995. doi:10.1063/1.470648.
- 6
Celeste Sagui, Lee G. Pedersen, and Thomas A. Darden. Towards an accurate representation of electrostatics in classical force fields: Efficient implementation of multipolar interactions in biomolecular simulations. The Journal of Chemical Physics, 120(1):73–87, 2004. doi:10.1063/1.1630791.
- 7
Wei Wang and Robert D. Skeel. Fast evaluation of polarizable forces. The Journal of Chemical Physics, 123(16):164107, 2005. doi:10.1063/1.2056544.
- 8
B. T. Thole. Molecular polarizabilities calculated with a modified dipole interaction. Chemical Physics, 59(3):341–350, 1981. doi:10.1016/0301-0104(81)85176-2.