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Collection's Items (Sorted by Submit Date in Descending order): 1581 to 1600 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Halfenprox_CONF121_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11338830; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF126_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11399169; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF133_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11367355; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF146_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11310668; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF147_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11299001; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF148_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11378643; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF150_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11316142; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF156_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11450914; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF159_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11565042; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11237977; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF160_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11333569; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF163_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11126496; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF164_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11360887; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF168_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11350345; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11311923; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF170_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11365226; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF171_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11266644; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11085523; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11357847; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF205_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.11318716; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1581 to 1600 of 6276
