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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | etaconazole_RS_CONF29_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71682446; Eh | |||
 | 22-Dec-2021 | etaconazole_RS_CONF32_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71661648; Eh | |||
 | 22-Dec-2021 | etaconazole_RS_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71852804; Eh | |||
 | 22-Dec-2021 | etaconazole_RS_CONF39_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71642899; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF681_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63978744; Eh | |||
 | 22-Dec-2021 | etaconazole_RS_CONF41_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71959086; Eh | |||
 | 22-Dec-2021 | etaconazole_RS_CONF45_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71872175; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF744_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64043593; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF753_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63987898; Eh | |||
 | 22-Dec-2021 | etaconazole_RS_CONF49_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71937545; Eh |
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