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 | pefurazoate_CONF2304_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02478478; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF2330_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02737192; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF2390_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02759890; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF25_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02271153; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF24_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02257237; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF361_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02278260; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF356_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02403911; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF418_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02494490; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF424_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02510367; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF42_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02191812; Eh |
Results 3931-3940 of 4613 (Search time: 0.003 seconds).
Discover
Calculation type