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)

From MaRDI portal
scientific article
Language Label Description Also known as
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

    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)
    0 references
    11 February 2013
    0 references
    0 references
    Diels-Alder reactions
    0 references
    density functional theory (DFT)
    0 references
    molecular quantum similarity
    0 references
    TGSA
    0 references
    Fukui function
    0 references
    global and local reactivity indexes
    0 references
    0 references