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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrisoxazole_RS_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87067789; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF29_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87060985; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87096877; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88932625; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88927453; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88882577; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.86852509; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF18_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89077065; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF19_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89077356; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88984653; Eh |
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