Constrained shrinking dimer dynamics for saddle point search with constraints (Q440616)

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Constrained shrinking dimer dynamics for saddle point search with constraints
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    Constrained shrinking dimer dynamics for saddle point search with constraints (English)
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    19 August 2012
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    saddle point
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    transition state
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    potential energy surface
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    shrinking dimer dynamics
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    constrained saddle point
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    periodic centroidal Voronoi tessellations
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    generalized Thomson problem
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    critical nuclei
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    numerical examples
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