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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Sep-2020 | /Gaussian TS3B | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Gaussian Ethylene_glycole | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Gaussian 4EXP | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Gaussian TS5Abpy | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Orca 11EXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2012.22675478; Eh | |||
 | 11-Sep-2020 | /Orca 12 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1405.33516951; Eh | |||
 | 11-Sep-2020 | /Orca Ethylene_glycol | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -230.26890631; Eh | |||
 | 11-Sep-2020 | /Orca TS1A | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1635.62050427; Eh | |||
 | 11-Sep-2020 | /Orca TS1AbpyEXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2012.18553934; Eh | |||
 | 11-Sep-2020 | /Orca TS1C | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1481.78499836; Eh |
Results 131-140 of 636 (Search time: 0.002 seconds).