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. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Aug-2021 | fe4co4_K | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | GEN | -15483.4770735; Eh | ||||
30-Aug-2021 | fe4co4_2Li_H2O | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | GEN | -15043.9196929; Eh | ||||
30-Aug-2021 | fe4co4_2Na_H2O | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | GEN | -15284.3458776; Eh | ||||
30-Aug-2021 | fe4co4_Li_H2O | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | GEN | -14967.6333872; Eh | ||||
30-Aug-2021 | fe4co4_Na_2H2O | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | GEN | -15198.5364199; Eh | ||||
30-Aug-2021 | fe4co4_Na_H2O | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | GEN | -15122.2591540; Eh | ||||
30-Aug-2021 | fe4co4_Li | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | GEN | -14891.2897316; Eh | ||||
30-Aug-2021 | fe4co4_Na | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | GEN | -15045.9346420; Eh | ||||
30-Aug-2021 | Li(H2O)4 | Jover Modrego, Jesús | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | GEN | -312.660656596; Eh | ||||
30-Aug-2021 | Na(H2O)6 | Jover Modrego, Jesús | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | GEN | -619.880125039; Eh |
Results 1-10 of 12 (Search time: 0.002 seconds).
Discover
Subject
- 12 Alkali metals
- 12 Lithium
- 12 Potassium
- 12 Prussian Blue Analog
- 12 Sodium
Program name
- 12 Gaussian
Method
- 12 RPBEPBE