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Influence of solvation and dynamics on the mechanism and kinetics of nucleophilic aromatic substitution reactions in liquid ammonia
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Convergence of atomic charges with the size of the enzymatic environment
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- Conference Paper
- C3
- open access
Cationic ring-opening polymerization of 2-propyl-2-oxazolines: understanding structural effects on polymerization behavior based on molecular modeling
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An Intrinsic Radical Stability Scale from the Perspective of Bond Dissociation Enthalpies: A Companion to Radical Electrophilicities
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Electrophilicity and nucleophilicity index for radicals
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Spin-polarized conceptual density functional theory study of the regioselectivity in ring closures of radicals
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Woodward-Hoffmann rules in density functional theory: Initial hardness response
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Spin-polarized conceptual density functional theory study of the regioselectivity in the [2+2] photocycloaddition of enones to substituted alkenes
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Molecular quantum similarity of enantiomers of amino acids : a case study
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Quantumchemische studie van dissimilariteit van enantiomeren