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Collection's Items (Sorted by Submit Date in Descending order): 841 to 860 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | etaconazole_RS_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72706957; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72703716; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72441910; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72490785; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72704372; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72532110; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72568276; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72455097; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72649437; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72573186; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72583234; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72683905; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72521553; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72528078; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72566900; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72548030; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72773776; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF83_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72489634; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF84_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72748991; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72506401; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 841 to 860 of 6872
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