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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2023 | butachlor_CONF73_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1328.98982710; Eh | |||
 | 14-Dec-2022 | terbinafine_CONF117_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -870.02887199; Eh | |||
 | 9-Sep-2022 | prosulfuron_CONF410_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1853.85955857; Eh | |||
 | 29-Sep-2022 | metazosulfuron_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2350.80599871; Eh | |||
 | 10-Sep-2022 | cyclosulfamuron_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1782.72745420; Eh | |||
 | 3-Oct-2022 | octhilinone_CONF569_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -958.86354242; Eh | |||
 | 17-Jan-2023 | pretilachlor_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1328.99779132; Eh | |||
 | 3-Oct-2022 | octhilinone_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -958.86576929; Eh | |||
 | 9-Jan-2023 | dodemorph-trans_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -837.07493540; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF321_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.10338815; Eh |
Results 194681-194690 of 319344 (Search time: 0.136 seconds).
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Subject
- 2576 Reactivity
- 2492 Atomic property
- 2492 Benchmark
- 2492 Dipole
- 2492 Electronic Population
- 2492 QTAIM
- 2492 Quadrupole
- 2263 Mass spectrometry
- 2118 Peptides
- 2113 Conformation analysis
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Date issued
- 1 2020