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_CONF23_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63689862; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF266_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64143315; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF254_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64145215; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF337_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64126882; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF369_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63849500; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF362_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63800391; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF401_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63824766; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF431_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63898264; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF433_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63909874; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF504_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63873559; Eh |
Results 3801-3810 of 4613 (Search time: 0.003 seconds).
Discover
Calculation type