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Halgren, T.A. (1996) Merck Molecular Force Field. III. Molecular Geometries and Vibrational Frequencies for MMFF94. Journal of Computational Chemistry, 17, 553-586.
http://dx.doi.org/10.1002/(SICI)1096-987X(199604)17:5/6<553::AID-JCC3>3.0.CO;2-T

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