Reaction pathways and convexity of the potential energy surface: Application of Newton trajectories (Q703975)
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scientific article; zbMATH DE number 2126963
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| English | Reaction pathways and convexity of the potential energy surface: Application of Newton trajectories |
scientific article; zbMATH DE number 2126963 |
Statements
Reaction pathways and convexity of the potential energy surface: Application of Newton trajectories (English)
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12 January 2005
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Potential energy surface
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reaction path
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projected gradient
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IRC
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Newton trajectory
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pseudo-convexity
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0.847826361656189
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0.737244725227356
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0.7372446060180664
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0.7324268817901611
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0.7301692962646484
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