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Collection's Items (Sorted by Submit Date in Descending order): 781 to 800 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | etaconazole_RS_CONF108_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.69875636; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF11_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70148069; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF126_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70046223; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF129_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70015071; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF14_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70273127; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.69988490; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF16_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70152625; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70076611; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF20_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70286970; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF23_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70030597; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF25_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70054781; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70093710; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF32_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.69919407; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF35_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70224620; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF37_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70196834; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70143235; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF41_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70177499; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF42_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70142149; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF45_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70262580; Eh | |||
 | 28-Mar-2025 | etaconazole_RS_CONF48_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1777.70123982; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 781 to 800 of 6872
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