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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_Cl/CH3_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6990.13081563; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_Cl/no_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6518.11716374; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_Cl/no_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6518.12959064; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_Cl/CH3_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | GEN | -6990.14835077; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_Cl/no_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6518.10355153; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_F/CH3_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6629.74418937; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_BF4/no_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6482.47346131; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_BF4/no_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6482.48393430; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_BF4/F_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -7673.64799393; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_BF4/no_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6482.49388109; Eh |
Results 2371-2380 of 2403 (Search time: 0.003 seconds).