Vorlage:Ps-py:Plattenspieler Singlett-Triplett energies

Singlett Triplett energies vs cis-Konformer 25

Screenshots of triplett cis-conformer 20

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  c6f5-ps-py-PBETZVP.20-cis-t-k

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  c6h5-ps-py-PBETZVP.20-cis-t-k

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  h-ps-py-PBETZVP.20-cis-t-k

Screenshots of singlett cis-conformer 25

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  c6f5-ps-py-PBETZVP.25-cis-s-k

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  c6h5-ps-py-PBETZVP.25-cis-s-k

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  h-ps-py-PBETZVP.25-cis-s-k

Screenshots of singlett cis-conformer 27

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  c6f5-ps-py-PBETZVP.27-cis-s-k

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  c6h5-ps-py-PBETZVP.27-cis-s-k

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  h-ps-py-PBETZVP.27-cis-s-k.sp