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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
Lee, Sang-Ho; Palmo, Kim; Krimm, Samuel
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Wiley Subscription Services, Inc., A Wiley Company
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New out-of-plane angle and bond angle internal coordinates and related potential energy functions for molecular mechanics and dynamics simulations
Lee, Sang-Ho; Palmo, Kim; Krimm, Samuel
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John Wiley & Sons, Inc.
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