Angewandte Chemie International Edition · 2012 · 188 citations · 74 references
Natural SciencesChemistryCatalysisComputational ChemistryOrganic ChemistryCoordination ChemistryHeterocyclic ChemistryHeterocyclic CompoundsOrganic SynthesisControl Experimentsπ Interactionsπ-π Interactionsπ-π Stacking Catalysis
Designing armory: The side-arm-modified In-TOX/NiII complex was identified as a highly efficient and stereoselective catalyst for the [3+3] cycloaddition of aromatic azomethine imines with cyclopropanes (see picture). Density functional calculations and control experiments revealed that the directing effect of the side arm through π interactions is crucial to the stereochemical control. As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text
Natural Sciences, Chemistry, Physics +17
Density Functionals with Broad Applicability in Chemistry
Yan Zhao, Donald G. Truhlar · Accounts of Chemical Research · 2008 · 7.1K citations
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