A comparative study of molecular dynamics in Cartesian and in internal coordinates: Dynamical instability in the latter caused by nonlinearity of the equations of motion - researchr publication

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Sang Ho Lee, Kim PalmÃ¶, Samuel Krimm. A comparative study of molecular dynamics in Cartesian and in internal coordinates: Dynamical instability in the latter caused by nonlinearity of the equations of motion. Journal of Computational Chemistry, 28(6):1107-1118, 2007. [doi]

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