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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 13EXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2246.11879486; Eh | |||
 | 11-Sep-2020 | /Orca 14 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1400.57125651; Eh | |||
 | 11-Sep-2020 | /Orca 16 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1704.94454603; Eh | |||
 | 11-Sep-2020 | /Orca Gem-diol | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -305.52269949; Eh | |||
 | 11-Sep-2020 | /Orca Glycolaldehyde | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -229.07255882; Eh | |||
 | 11-Sep-2020 | /Orca H2 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1.16103983; 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 TS1Abpy | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 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 91-100 of 636 (Search time: 0.002 seconds).