A COMPUTATIONAL DESIGN OF COVALENTLY BONDED MIXED STACKING COCRYSTALS.
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DOI: 10.1002/cplu.202500028
Abstract: In this study, a computational design of a new type of donor-acceptor mixed stacking cocrystals is introduced. Our approach involves functionalizing trisilasumanene frameworks with electron-donating groups (-CH3, -OH, -NH2) and electron-withdrawing groups (-F, -CN), and… read more here.
Keywords: mixed stacking; computational design; bonded mixed; stacking cocrystals ... See more keywords