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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jun-2020 | H6H_ONIOM_P_OH-C6 | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -120.8049891; Eh | |||
 | 23-Jun-2020 | H6H_ONIOM_RI-C6 | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -116.2352725; Eh | |||
 | 23-Jun-2020 | H6H_ONIOM_ES | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -236.350199; Eh | |||
 | 23-Jun-2020 | H6H_ONIOM_HAT2-C7 | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -107.6871372; Eh | |||
 | 23-Jun-2020 | H6H_ONIOM_HAT1-C7 | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -229.6056239; Eh | |||
 | 23-Jun-2020 | H6H_ONIOM_P_H | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -20.4733895; Eh | |||
 | 23-Jun-2020 | H6H_HAT1_C7_piChannel | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -222.5232595; Eh | |||
 | 23-Jun-2020 | H6H_ONIOM_HAT1-C7pi | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -222.5232595; Eh | |||
 | 23-Jun-2020 | H6H_ONIOM_RI-C7pi | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -121.5556096; Eh | |||
 | 23-Jun-2020 | H6H_ONIOM_TS_OH-C7 | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -110.4623288; Eh |
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