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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
23-Oct-2019 | TS5_cis_out | Petter, Dunås | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | - | ||||
23-Oct-2019 | TS4_cis_in | Petter, Dunås | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | - | ||||
23-Oct-2019 | TS7_cis_in | Petter, Dunås | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | - | ||||
23-Oct-2019 | TS3_trans_in | Petter, Dunås | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | - | ||||
23-Oct-2019 | TS2_tans_in | Petter, Dunås | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | - | ||||
23-Oct-2019 | TS6_cis_out | Petter, Dunås | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | - | ||||
23-Oct-2019 | TS5_cis_in | Petter, Dunås | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | - | ||||
23-Oct-2019 | TS8_cis_in | Petter, Dunås | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | - | ||||
23-Oct-2019 | TS9 | Petter, Dunås | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | - | ||||
23-Oct-2019 | IN1_iso | Petter, Dunås | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | - |
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