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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | nuarimol_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1399.86952657; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF190_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49283515; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF19_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49175259; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF200_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49078938; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF20_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49221171; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF209_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49219728; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF21_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49174020; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF214_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49269815; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF215_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49279205; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF13_octanol | Pla Terrada, Paula | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -1265.1550646; Eh |
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