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Collection's Items (Sorted by Submit Date in Descending order): 741 to 760 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | etaconazole_RR_CONF113_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71725556; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71604990; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71636967; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF15_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71816471; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71713997; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71702453; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF22_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71630315; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF24_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71587034; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF25_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71641305; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF26_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71577102; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF27_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71612312; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71626912; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF30_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71519420; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF32_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71830946; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF34_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71612833; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF35_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71628552; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF37_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71626306; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF39_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71550515; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71725317; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF40_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.71586978; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 741 to 760 of 6872
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