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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2022 | metyltetraprole_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1673.49563702; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF271_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.10982669; Eh | |||
 | 18-Jan-2023 | butachlor_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1328.98852646; Eh | |||
 | 14-Dec-2022 | terbinafine_CONF89_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -870.04378061; Eh | |||
 | 27-Sep-2022 | metyltetraprole_CONF99_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1673.46675019; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF245_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01715100; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF223_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01679660; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01836186; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF235_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01695927; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF23_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01869320; Eh |
Results 193951-193960 of 319344 (Search time: 0.142 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