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| Topic | Forum | Replies | Last post |
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1 |
Multiwfn and wavefunction analysis | 3 | 2024-11-21 21:37:06 by sobereva |
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2
Question about spin contamination in Gaussian16 by rikaaardoss
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Quantum Chemistry | 5 | 2023-07-30 14:21:16 by sobereva |
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3
Local Electron Attachment Energy by rikaaardoss
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Multiwfn and wavefunction analysis | 1 | 2023-05-18 09:52:20 by sobereva |
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4
possible bug changing formats by rikaaardoss
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Multiwfn and wavefunction analysis | 2 | 2022-09-19 05:12:25 by rikaaardoss |
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5
regarding Energy Decomposition Analysis by rikaaardoss
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Multiwfn and wavefunction analysis | 8 | 2022-07-02 11:21:06 by sobereva |
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6
chemical bond in excited states using Multiwfn and Orca by rikaaardoss
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Multiwfn and wavefunction analysis | 3 | 2022-03-26 10:05:37 by sobereva |
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7
Triplet state optimizations beyond T1 using TD-DFT by rikaaardoss
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Quantum Chemistry | 2 | 2021-01-23 02:44:21 by rikaaardoss |
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