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Chemists are constantly checking the limits of theories, and the limits of bonding is one that has been subject to many tests of late. I have posted on two recent papers (here, here) that probe just how long a C-C bond can be, and now Li, Miller, and co-workers...
Pericyclic reactions remain a fruitful area of research despite the seminal publication of the Woodward-Hoffmann rules decades ago. Here are two related papers of pericyclic reactions that violate the Woodward-Hoffmann rules.First, Solomek, Ravat, Mou, Kertesz,...
Interesting 18 π-electron systems involving cyclooctadecanonenetriyne rings have been synthesized and examined by computations.1 The mono-, di- and tri-C18 ring compounds 1, 2, and 3 were prepared and the x-ray structure of 2 was obtained. The B3PW91/6-31G(d,p)...

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The role of dispersion in understanding organic chemistry, both structure and reactivity, is truly coming into prominence (see for example this blog post for a compound whose stability is the result of dispersion). This has been driven in part by new computational...
Chemists are constantly checking the limits of theories, and the limits of bonding is one that has been subject to many tests of late. I have posted on two recent papers (here, here) that probe just how long a C-C bond can be, and now Li, Miller, and co-workers...
Pericyclic reactions remain a fruitful area of research despite the seminal publication of the Woodward-Hoffmann rules decades ago. Here are two related papers of pericyclic reactions that violate the Woodward-Hoffmann rules.First, Solomek, Ravat, Mou, Kertesz,...

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Li, J.; Pang, R.; Li, Z.; Lai, G.; Xiao, X.-Q.; Mller, T., Angew. Chem. Int. Ed. 2019, 58, 1397-1401Contributed by Steven BacharachReposted from Computational Organic Chemistry with permissionChemists are constantly checking the limits of theories, and the...
olomek, T.; Ravat, P.; Mou, Z.; Kertesz, M.; Jurek, M., "Cethrene: The Chameleon of WoodwardHoffmann Rules." J. Org. Chem. 2018, 83, 4769-4774Ravat, P.; olomek, T.; Hussinger, D.; Blacque, O.; Jurek, M., "Dimethylcethrene: A Chiroptical Diradicaloid Photoswitch."...
Chongwei, Z.; Albert, P.; Carine, D.; Brice, K.; Alix, S.; Valrie, M.; Remi, C., Angew. Chem. Int. Ed. 2018, 57, 5640-5644Contributed by Steven BacharachReposted from Computational Organic Chemistry with permissionInteresting 18 -electron systems involving...