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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-May-2023 | dimethametryn_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1103.90745990; Eh | |||
 | 6-Sep-2023 | /NNP_application/reduction_10samplings/dot034/random2 00 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 6-Sep-2023 | /NNP_application/reduction_10samplings/dot034/random10 42 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 6-Sep-2023 | /NNP_application/reduction_10samplings/dot034/random10 45 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 6-Sep-2023 | /NNP_application/reduction_10samplings/dot034/random10 46 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 6-Sep-2023 | /NNP_application/reduction_10samplings/dot034/random10 47 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 6-Sep-2023 | /NNP_application/reduction_10samplings/dot034/random10 44 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 6-Sep-2023 | /NNP_application/reduction_10samplings/dot034/random10 41 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 6-Sep-2023 | /NNP_application/reduction_10samplings/dot034/random10 48 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 30-May-2023 | atrazine_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1047.38780551; Eh |
Results 320041-320050 of 326574 (Search time: 0.316 seconds).
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Subject
- 2576 Reactivity
- 2492 Atomic property
- 2492 Benchmark
- 2492 Dipole
- 2492 Electronic Population
- 2492 QTAIM
- 2492 Quadrupole
- 2314 Mass spectrometry
- 2118 Peptides
- 2113 Conformation analysis
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Date issued
- 1 2020