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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 TS4A | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Gaussian TS4 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Orca 3a | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1404.17209278; Eh | |||
 | 11-Sep-2020 | /Orca 9 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1709.73248751; 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 TS1AEXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2247.26255746; Eh | |||
 | 11-Sep-2020 | /Orca TS1CbpyEXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2012.18553934; Eh | |||
 | 11-Sep-2020 | /Orca TS2D | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1634.42634632; Eh | |||
 | 11-Sep-2020 | /Orca TS4CbpyEXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2240.09511850; Eh | |||
 | 11-Sep-2020 | /Orca TS4D | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1709.70208887; Eh |
Results 81-90 of 636 (Search time: 0.001 seconds).