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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Oct-2022 | ametoctradin_CONF901_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54387063; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1955_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51018427; Eh | |||
 | 18-Jan-2023 | butachlor_CONF287_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1328.98885921; Eh | |||
 | 14-Dec-2022 | terbinafine_CONF184_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -870.04244989; Eh | |||
 | 25-May-2023 | triaziflam_CONF333_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28187258; Eh | |||
 | 29-Sep-2022 | metazosulfuron_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2350.77893265; Eh | |||
 | 29-Sep-2022 | metazosulfuron_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2350.77898659; Eh | |||
 | 25-Apr-2023 | butafenacil_CONF731_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80484267; Eh | |||
 | 10-Sep-2022 | chlorsulfuron_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.73671546; Eh | |||
 | 3-Oct-2022 | octhilinone_CONF361_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -958.86474767; Eh |
Results 233461-233470 of 318743 (Search time: 0.18 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