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-B10Br9(CO)_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -23530.8124895; Eh | ||||
13-Jul-2023 | 1-B10Br9Ar_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -23944.9219024; Eh | ||||
13-Jul-2023 | 1-B10Br9N2_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -23526.9946113; Eh | ||||
13-Jul-2023 | 2-B10Br9Ar_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -23944.9285470; Eh | ||||
13-Jul-2023 | 1-B10Br9Ne_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -23546.3181493; Eh | ||||
13-Jul-2023 | B6Cl5Kr_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -5204.51871465; Eh | ||||
13-Jul-2023 | B6Br5N2_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -13130.2901460; Eh | ||||
13-Jul-2023 | 1-B10Br9_to_2-B10Br9_(Br) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -23417.3308180; Eh | ||||
13-Jul-2023 | 1-B10Cl9(H2O)_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -4467.96723825; Eh | ||||
13-Jul-2023 | 2-B10Cl9(H2O) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -4467.97087232; Eh |
Results 61-70 of 122 (Search time: 0.0 seconds).
Discover
Subject