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118
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JCC
2010
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JCC 2010
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A comment to the nudged elastic band method
15 years 1 months ago
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www.math.uni-leipzig.de
: The minimum energy path (MEP) is an important reaction path concept of theoretical chemistry, and the nudged elastic band (NEB) method with its many facets is a central method to...
Wolfgang Quapp, Josep Maria Bofill
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