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Collection's Items (Sorted by Submit Date in Descending order): 661 to 680 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | etaconazole_RR_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70042050; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF20_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70136524; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF22_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.69875142; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF24_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.69841380; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF25_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.69848117; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF27_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.69844925; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF31_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.69903640; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF32_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70149366; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF36_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70086758; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70076226; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF42_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70031013; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF43_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70212115; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF44_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70170940; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF48_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70195016; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF50_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70220402; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF51_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70055842; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF53_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70025493; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF55_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.69988499; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF58_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70275104; Eh | |||
 | 28-Mar-2025 | etaconazole_RR_CONF59_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70020096; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 661 to 680 of 6872
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