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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Jul-2023 | 5_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -407.899387064; Eh | |||
 | 28-Jul-2023 | 12_neutral | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -384.446922767; Eh | |||
 | 28-Jul-2023 | 11_neutral | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -420.353161435; Eh | |||
 | 27-Jul-2023 | mechanism1_INT3 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -1898.24934705; Eh | |||
 | 28-Jul-2023 | zundel_cation | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -153.124368779; Eh | |||
 | 27-Jul-2023 | 11_neutral | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -420.353161435; Eh | |||
 | 28-Jul-2023 | no_lysine_mechanism_INT2 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -1897.82208070; Eh | |||
 | 28-Jul-2023 | 24_neutral | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -707.445760068; Eh | |||
 | 28-Jul-2023 | 22_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -562.573183748; Eh | |||
 | 28-Jul-2023 | 24_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -707.884862329; Eh |
Results 51-60 of 119 (Search time: 0.001 seconds).
Discover
Program name
- 119 Gaussian