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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-May-2023 | tefuryltrione_CONF329_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2161.07148288; Eh | |||
 | 26-May-2023 | tefuryltrione_CONF328_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2161.07149074; Eh | |||
 | 25-Apr-2023 | pyraflufen-ethyl_CONF201_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90320519; Eh | |||
 | 25-Apr-2023 | pyraflufen-ethyl_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90327119; Eh | |||
 | 25-Apr-2023 | pyraflufen-ethyl_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90099081; Eh | |||
 | 25-Apr-2023 | pyraflufen-ethyl_CONF202_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90542460; Eh | |||
 | 26-May-2023 | tefuryltrione_CONF182_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2161.07068069; Eh | |||
 | 26-May-2023 | tefuryltrione_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2161.07297897; Eh | |||
 | 26-May-2023 | tefuryltrione_CONF183_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2161.07179187; Eh | |||
 | 26-May-2023 | tefuryltrione_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2161.07300236; Eh |
Results 297161-297170 of 319237 (Search time: 0.245 seconds).
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Subject
- 2575 Reactivity
- 2491 Atomic property
- 2491 Benchmark
- 2491 Dipole
- 2491 Electronic Population
- 2491 QTAIM
- 2491 Quadrupole
- 2263 Mass spectrometry
- 2118 Peptides
- 2113 Conformation analysis
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Date issued
- 1 2020