Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrisoxazole_RS_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89221074; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF24_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89061985; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF145_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52361678; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF31_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89067619; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF32_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89052538; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF30_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89077986; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF25_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88266289; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF23_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88249124; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF26_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88261442; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88299813; Eh |
Results 2821-2830 of 4613 (Search time: 0.002 seconds).
Discover
Calculation type