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Collection's Items (Sorted by Submit Date in Descending order): 821 to 840 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | etaconazole_RS_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72653169; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72738199; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF141_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72560295; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF143_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72545244; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72675084; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72755791; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72613179; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72755133; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72480435; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72546427; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72587988; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72611540; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72593029; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72611450; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72489989; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72737208; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72685044; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72672146; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72777038; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1777.72688050; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 821 to 840 of 6872
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