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Collection's Items (Sorted by Submit Date in Descending order): 701 to 720 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | etaconazole_RR_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72647919; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72530222; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72442580; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72436285; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72456639; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72381107; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72527612; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72399062; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72492284; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72681715; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72443695; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72679308; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72448982; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72358500; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72380048; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72581534; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72424535; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72585574; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72815879; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72573956; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 701 to 720 of 6872
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