Kenichi Fukui, Frontier Molecular Orbital Theory, and the Woodward-Hoffmann Rules. Part II. A Sleeping Beauty in Chemistry†.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical record"
DOI: 10.1002/tcr.202100300
Abstract: In 1964, Kenichi Fukui published a chapter in a book honoring the career of Robert S. Mulliken. While most of that chapter is a review of Fukui's previously published research dealing with frontier molecular orbital… read more here.
Keywords: chemistry; kenichi fukui; molecular orbital; woodward hoffmann ... See more keywords
Cycloaddition Reactivities Analyzed by Energy Decomposition Analyses and the Frontier Molecular Orbital Model.
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DOI: 10.1021/acs.accounts.2c00343
Abstract: ConspectusThis Account describes our quest to understand and predict organic reactivity, a principal goal of physical and theoretical organic chemistry. The focus is on the development and testing of models for the prediction of cycloaddition… read more here.
Keywords: frontier molecular; reactivity; molecular orbital; model ... See more keywords
Frontier Molecular Orbital Engineering of Aromatic Donor Fusion: Modularly Constructing Highly Efficient Narrowband Yellow Electroluminescence.
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DOI: 10.1021/acsami.3c14514
Abstract: The development of high-performance multiple resonance thermally activated delayed fluorescence (MR-TADF) materials with narrowband yellow emission is highly critical for various applications in industries, such as the automotive, aerospace, and microelectronic industries. However, the modular… read more here.
Keywords: donor fusion; narrowband yellow; donor; frontier molecular ... See more keywords