Chemical Structure from Scientific Research

Open access visualization of Chemical Structure, Triplet Spin Density, Gas Phase, Geometry Optimization
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DOI: 10.1002/anie.202305182

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Triplet spin density of DOBDiKTa calculated in the gas phase at the T1optimized geometry at the uPBE0/6-31G(d,p) level.

#Chemical Structure#Triplet Spin Density#Gas Phase#Geometry Optimization

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