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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scientific article; zbMATH DE number 6135287
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| English | Topological model to quantify the global reactivity indexes as local in Diels-Alder reactions, using density function theory (DFT) and local quantum similarity (LQS) |
scientific article; zbMATH DE number 6135287 |
Statements
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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0.6955634355545044
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0.6534897089004517
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0.6521143913269043
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