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. |
---|---|---|---|---|---|---|---|---|---|---|---|
11-Sep-2020 | /Gaussian TS1C | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian 16 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
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 S5_L1_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2673.10690127; Eh | ||||
2-Jan-2023 | /L1 S4_L1_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2733.40168337; Eh | ||||
11-Sep-2020 | /Gaussian 10 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian 9 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian 8 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
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_META S9_L2_META_LS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2844.61652581; Eh |
Results 291-300 of 8096 (Search time: 0.003 seconds).
Discover
Subject
- 2491 Atomic property
- 2491 Benchmark
- 2491 Dipole
- 2491 Electronic Population
- 2491 QTAIM
- 2491 Quadrupole
- 2491 Reactivity
- 390 Density functional calculations
- 273 Circular dichroism
- 273 De novo Protein Design
- next >
Program name
- 8096 Gaussian