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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jun-2024 | /DFT/Fe2_MOC_Br/no_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -8631.94787162; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_Br/CH3_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -9103.99054555; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_Br/no_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -8631.97142509; Eh |
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