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Sílvia Osuna, Marcel Swart Editorial (Hot Topic: Nanoreactors and Molecular Prisons)COC, 2013, 17, 1469-1469DOI: 10.2174/1385272811317140002Keywords: Computational chemistry, Confined space, Density Functional Theory
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Keyword: Select one keywordAromaticityBiocatalysisBiomolecules and biomaterialsChemical bondingComputational chemistryConfined spaceCross-coupling reactionsCycloadditionElectron and energy transferEnzyme designExcited statesHigh-valent metal complexesHomogeneous catalysisJoint Exp-CompMachine learningMethod developmentMolecular Dynamics simulationsMolecular similarityNanocagesNanomaterialsNon-covalent interactionsNonlinear optical propertiesOrganometallicsOxidationPhotovoltaic materialsPredictive ChemistryReaction mechanismsReal-space analysisRegioselectivite functionalizationSpectroscopySpin statesSupramolecular chemistrySustainable Catalysis
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