Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jun-2024 | /DFT/Fe2_MOC_I/F_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -14168.1575904; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_I/F_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | GEN | -14168.1701457; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_I/no_substituted HSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -12977.0002779; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_Br/CH3_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -9103.95727035; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_I/CH3_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -13449.0009730; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_I/CH3_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -13449.0298232; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_I/no_substituted HSHS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -12976.9899800; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_I/no_substituted LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GEN | -12977.0096354; Eh | |||
 | 26-Jun-2024 | /DFT/Fe2_MOC_BF4/CH3_substituded LSLS_Freq | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | GEN | -6954.51456098; Eh | |||
 | 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 |
Results 2351-2360 of 2403 (Search time: 0.003 seconds).