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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | epoxiconazole_RS_CONF12_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.21928512; Eh | |||
 | 22-Dec-2021 | epoxiconazole_RS_CONF19_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.22136392; Eh | |||
 | 22-Dec-2021 | epoxiconazole_RS_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.21963961; Eh | |||
 | 22-Dec-2021 | epoxiconazole_RS_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.22177286; Eh | |||
 | 22-Dec-2021 | epoxiconazole_RS_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.22104077; Eh | |||
 | 22-Dec-2021 | etaconazole_RR_CONF100_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.69839129; Eh | |||
 | 22-Dec-2021 | etaconazole_RR_CONF113_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.69904513; Eh | |||
 | 22-Dec-2021 | etaconazole_RR_CONF18_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.69874998; Eh | |||
 | 22-Dec-2021 | etaconazole_RR_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.70042050; Eh | |||
 | 22-Dec-2021 | etaconazole_RR_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.69841380; Eh |
Results 121-130 of 5179 (Search time: 0.002 seconds).
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- 5179 Orca