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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2333719862> ?p ?o ?g. }

• W2333719862 abstract "Cooperative effects caused by dispersion interactions between dienes and dienophiles in a so-called self-replicating system have been evaluated by density functional theory. A variety of functionals is tested for the elucidation of reactant complex stabilities. Dispersion interactions between dienes and dienophiles result in additional stabilizations of up to 10 kcal mol(-1). These effects should be taken into account in future experimental studies and can be exploited to design more efficient systems." @default.
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• W2333719862 date "2012-09-25" @default.
• W2333719862 modified "2023-09-27" @default.
• W2333719862 title "Elucidation of Strong Cooperative Effects Caused by Dispersion Interactions in a Recognition-Mediated Diels–Alder Reaction" @default.
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• W2333719862 doi "https://doi.org/10.1021/ct300655b" @default.
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