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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Numerical AnalysisCartesian EquationsEngineeringPhysicsNumerical IntegrationNatural SciencesPhysical ChemistryMathematical ChemistryNumerical ExperimentComputational ChemistryQuantum ChemistryComputational MechanicsMolecular KineticsMolecular Dynamics