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Collection's Items (Sorted by Submit Date in Descending order): 1121 to 1140 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenvalerate_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64317857; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64278327; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64181455; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64064048; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64195803; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF71_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64369302; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64378623; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64340863; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF75_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64260092; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64231073; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF77_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64208674; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64129359; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF93_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64188254; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF95_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64260925; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09075241; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF124_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09087169; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF145_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09454819; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF164_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09166509; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF167_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09142070; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF187_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09147314; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1121 to 1140 of 6276
