Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-May-2022 | Self-folding_cavitand | lopez, ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | 6-31G(D) | -4895.67205641; Eh | |||
 | 12-Dec-2022 | SC5OMeB_RNaphth | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | ZDO | -0.585157536596; Eh | |||
 | 12-Dec-2022 | SC5OMeB_ScPr | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | ZDO | -0.623107508040; Eh | |||
 | 12-Dec-2022 | SC5OMeB_4CHCl3 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | ZDO | -0.955296873082; Eh | |||
 | 12-Dec-2022 | SC5OMeB_RNaphth_MD | Lledó, Agustí | Amber; 20 | Molecular Dynamics | - | - | -0.6314864697599999; Eh | |||
 | 12-Dec-2022 | SC5OMeB_ScPr_MD | Lledó, Agustí | Amber; 20 | Molecular Dynamics | - | - | -0.72308627904; Eh | |||
 | 12-Dec-2022 | SC5OMeB_MD | Lledó, Agustí | Amber; 20 | Molecular Dynamics | - | - | -0.7012501344; Eh |
Results 1-7 of 7 (Search time: 0.001 seconds).
Discover
Subject