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. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Jan-2023 | /L1 S4_L1_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UBLYP | DEF2TZVP | -2733.39311846; Eh | ||||
2-Jan-2023 | /L1 S3_L1_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3619.63849594; Eh | ||||
2-Jan-2023 | /L1 S9_L1_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2644.67304815; Eh | ||||
2-Jan-2023 | /L2_META S1_L2_META_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2661.21052329; Eh | ||||
2-Jan-2023 | /L2_META S8_L2_META_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2771.29087166; Eh | ||||
2-Jan-2023 | /L2_PARA S1_L2_PARA_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2661.20234950; Eh | ||||
2-Jan-2023 | /L2_PARA S1_L2_PARA_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2661.21052329; Eh | ||||
2-Jan-2023 | /L2_PARA S5_L2_PARA_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2858.79737335; Eh | ||||
2-Jan-2023 | /L2_PARA S6_L2_PARA_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3577.73099255; Eh | ||||
2-Jan-2023 | /L2_PARA S7_L2_PARA_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -7799.44859583; Eh |
Results 41-50 of 104 (Search time: 0.001 seconds).
Discover
Subject
Calculation type