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. |
---|---|---|---|---|---|---|---|---|---|---|---|
13-Jul-2023 | 2-B10Br9N2_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -23526.9874325; Eh | ||||
13-Jul-2023 | 2-B10Br9He_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -23420.2705115; Eh | ||||
13-Jul-2023 | B12I11(H2O)_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3651.51830059; Eh | ||||
13-Jul-2023 | B12Br11_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -28615.7534695; Eh | ||||
13-Jul-2023 | B12I11_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3574.94852802; Eh | ||||
13-Jul-2023 | B10I10_(2-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3227.37795275; Eh | ||||
13-Jul-2023 | B6Cl5(H2O)_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -2527.20160299; Eh | ||||
13-Jul-2023 | B6Cl5(OC)_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -2564.06865353; Eh | ||||
13-Jul-2023 | B6Cl5Kr_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -5204.51871465; Eh | ||||
13-Jul-2023 | B6Cl5Xe_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -2780.15076126; Eh |
Results 81-90 of 106 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 106 Gaussian