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Corannulene 1 is an interesting aromatic compound because it is nonplanar, having a bowl shape. [6]helicene is an interesting aromatic compound because it is nonplanar, having the shape of a helix. Kato, Segawa, Scott and Itami have joined these together to...
The structure of (+)-frondosin B 1 has been the subject of some concern. The compound has been synthesized by a number of research groups with the expected R isomer as the target. However, the Danishefsky1 and MacMillan2 synthesis led to a molecule with [α]D...
The Grimme group has examined all 1812 C60 isomers, in part to benchmark some computational methods.1 They computed all of these structures at PW6B95-D3/def2-QZVP//PBE-D3/def2-TZVP. The lowest energy structure is the expected fullerene 1 and the highest energy...

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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...
Corannulene 1 is an interesting aromatic compound because it is nonplanar, having a bowl shape. [6]helicene is an interesting aromatic compound because it is nonplanar, having the shape of a helix. Kato, Segawa, Scott and Itami have joined these together to...
The structure of (+)-frondosin B 1 has been the subject of some concern. The compound has been synthesized by a number of research groups with the expected R isomer as the target. However, the Danishefsky1 and MacMillan2 synthesis led to a molecule with [α]D...

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Kato, K.; Segawa, Y.; Scott, L. T.; Itami, K., Angew. Chem. Int. Ed. 2018, 57, 1337-1341Contributed by Steven BacharachReposted from Computational Organic Chemistry with permissionCorannulene 1 is an interesting aromatic compound because it is nonplanar,...
Joyce, L. A.; Nawrat, C. C.; Sherer, E. C.; Biba, M.; Brunskill, A.; Martin, G. E.; Cohen, R. D.; Davies, I. W., Chem. Sci. 2018, 9, 415Contributed by Steven BacharachReposted from Computational Organic Chemistry with permissionThe structure of (+)-frondosin...
Sure, R.; Hansen, A.; Schwerdtfeger, P.; Grimme, S., Phys. Chem. Chem. Phys. 2017, 19, 14296Contributed by Steven BacharachReposted from Computational Organic Chemistry with permissionThe Grimme group has examined all 1812 C60 isomers, in part to benchmark...