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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_BF4/CH3_substituded HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6954.48656433; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_BF4/F_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -7673.65453581; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_BF4/CH3_substituded HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6954.50144997; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_I/CH3_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -13449.0161218; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_empty/CH3_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6529.44330342; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_H/F_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -7249.53416564; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_H/F_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -7249.52029606; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_H/no_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6058.36997055; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_H/no_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6058.38058378; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_H/CH3_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -6530.38120918; Eh |
Results 21-30 of 58 (Search time: 0.001 seconds).