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Using redundant internal coordinates to optimize equilibrium geometries and transition states
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1996
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Numerical AnalysisTransition StatesDynamic EquilibriumEngineeringPhysicsNatural SciencesNumerical SimulationEnergy MinimizationGeometric Singular Perturbation TheoryComputational MechanicsEquilibrium GeometriesComputational GeometryNon-equilibrium ProcessRedundant Internal CoordinatesMultiscale Modeling
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