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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | ipconazole_RRS_CONF16_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15460332; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF386_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49228475; Eh | |||
 | 21-Dec-2021 | ipconazole_RRS_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15458605; Eh | |||
 | 21-Dec-2021 | ipconazole_RRS_CONF22_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15366388; Eh | |||
 | 21-Dec-2021 | ipconazole_RRS_CONF25_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15386371; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF390_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49228074; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF364_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01469926; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01274574; Eh | |||
 | 21-Dec-2021 | ipconazole_RRS_CONF45_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15389338; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF418_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01635292; Eh |
Results 14411-14420 of 14834 (Search time: 0.012 seconds).
Discover
Calculation type