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DFT-calculated (B3LYP functional and 6-31G(d…
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Scheme 6. DFT-Calculated (B3LYP-D3/6-311G**++) Free Energy Landscape... | Downloa…
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Scheme 6. DFT-Calculated (B3LYP-D3/…
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DFT calculated (B3LYP-D3/6-311++…
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B3LYP-D2 (a) optimized structure of the ground sta…
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B3LYP-D3 optimized geometries and HOMOs of antiferromagnetically... | Do…
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B3LYP-D2 a optimized structure (bond length in Å) and b eigenvalue... | Downloa…
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