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      1,3-Diradicals Embedded in Curved Paraphenylene Units: Singlet versus Triplet State and In-Plane Aromaticity

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          Most cited references 83

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          Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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            Density-functional thermochemistry. III. The role of exact exchange

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              An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules

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                Author and article information

                Contributors
                Journal
                Journal of the American Chemical Society
                J. Am. Chem. Soc.
                American Chemical Society (ACS)
                0002-7863
                1520-5126
                May 19 2021
                April 26 2021
                May 19 2021
                : 143
                : 19
                : 7426-7439
                Affiliations
                [1 ]Department of Chemistry, Graduate School of Science, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8526, Japan
                [2 ]Laboratory for Physical Organic Chemistry, Division of Organic Chemistry and Biochemistry, Ruđer Bošković Institute, Bijenička cesta 54, 10000 Zagreb, Croatia
                [3 ]Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan
                Article
                10.1021/jacs.1c01329
                © 2021
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