Topological model to quantify the global reactivity indexes as local in Diels-Alder reactions, using density function theory (DFT) and local quantum similarity (LQS) (Q1936962)

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Topological model to quantify the global reactivity indexes as local in Diels-Alder reactions, using density function theory (DFT) and local quantum similarity (LQS)
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    Topological model to quantify the global reactivity indexes as local in Diels-Alder reactions, using density function theory (DFT) and local quantum similarity (LQS) (English)
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    11 February 2013
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    Diels-Alder reactions
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    density functional theory (DFT)
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    molecular quantum similarity
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    TGSA
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    Fukui function
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    global and local reactivity indexes
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