Browsing by Author Bianchi, Michele Giovanni
Showing results 1 to 16 of 16
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Feb-2024 | /N2_VS_negative SC_5x5 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Single point | VDW-DF2-B86R | NORMCONS | -67055.085606; eV | |||
 | 5-Feb-2024 | /N2_VS_negative SC_6x6 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Geometry optimization | VDW-DF2-B86R | NORMCONS | -96444.741342; eV | |||
 | 5-Feb-2024 | /N2_VS_negative SC_7x7 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Single point | VDW-DF2-B86R | NORMCONS | -131178.119692; eV | |||
 | 5-Feb-2024 | /N2_VS_neutral SC_6x6 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Geometry optimization | VDW-DF2-B86R | NORMCONS | -96445.797103; eV | |||
 | 5-Feb-2024 | /O2_pristine_negative SC_5x5 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Single point | VDW-DF2-B86R | NORMCONS | -67689.434437; eV | |||
 | 5-Feb-2024 | /O2_pristine_negative SC_6x6 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Single point | VDW-DF2-B86R | NORMCONS | -97079.104171; eV | |||
 | 5-Feb-2024 | /O2_pristine_negative SC_7x7 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Single point | VDW-DF2-B86R | NORMCONS | -131813.980713; eV | |||
 | 5-Feb-2024 | /O2_pristine_neutral SC_6x6 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Geometry optimization | VDW-DF2-B86R | NORMCONS | -97080.624438; eV | |||
 | 5-Feb-2024 | /O2_VS_negative SC_5x5 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Single point | VDW-DF2-B86R | NORMCONS | -67386.483696; eV | |||
 | 5-Feb-2024 | /O2_VS_negative SC_6x6 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Geometry optimization | VDW-DF2-B86R | NORMCONS | -96776.119987; eV | |||
 | 5-Feb-2024 | /O2_VS_negative SC_7x7 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Single point | VDW-DF2-B86R | NORMCONS | -131509.488462; eV | |||
 | 5-Feb-2024 | /O2_VS_neutral SC_6x6 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Geometry optimization | VDW-DF2-B86R | NORMCONS | -96777.077360; eV | |||
 | 5-Feb-2024 | /VS_negative SC_5x5 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Single point | VDW-DF2-B86R | NORMCONS | -66489.937403; eV | |||
 | 5-Feb-2024 | /VS_negative SC_6x6 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Geometry optimization | VDW-DF2-B86R | NORMCONS | -95879.577008; eV | |||
 | 5-Feb-2024 | /VS_negative SC_7x7 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Single point | VDW-DF2-B86R | NORMCONS | -130612.946916; eV | |||
 | 5-Feb-2024 | /VS_neutral SC_6x6 | Bianchi, Michele Giovanni | QuantumEspresso; 6.8 | Geometry optimization | VDW-DF2-B86R | NORMCONS | -95880.603353; eV |