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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_empty/F_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -7248.57207911; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_empty/F_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -7248.58400116; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_empty/F_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -7248.56030118; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_empty/CH3_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6529.46268060; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_empty/CH3_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6529.48203000; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_empty/no_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6057.41255092; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_empty/no_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6057.42827381; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_Cl/F_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -7709.28046678; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_Cl/F_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -7709.27050235; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_Cl/F_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -7709.28906879; Eh |
Results 1-10 of 58 (Search time: 0.001 seconds).