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 | prochloraz_CONF758_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63955748; Eh | |||
 | 22-Dec-2021 | etaconazole_RS_CONF51_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71588577; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF791_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63820869; Eh | |||
 | 22-Dec-2021 | etaconazole_RS_CONF56_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71702308; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF173_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.66455797; Eh | |||
 | 21-Dec-2021 | etaconazole_RS_CONF66_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71755207; Eh | |||
 | 21-Dec-2021 | etaconazole_RS_CONF68_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71871255; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF355_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.66558651; Eh | |||
 | 21-Dec-2021 | etaconazole_RS_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71772813; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF374_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.66729612; Eh |
Results 14431-14440 of 14834 (Search time: 0.01 seconds).