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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jun-2020 | TS4_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -3393.6446844; Eh | |||
 | 23-Jun-2020 | 4_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UB3LYP | GEN | -3393.7025235; Eh | |||
 | 23-Jun-2020 | /extendedQM H6H_ONIOM_HAT1-C7_extended | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -231.3505186; Eh | |||
 | 23-Jun-2020 | H6H_ONIOM_TS_OH-C6 | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -113.6636483; Eh | |||
 | 23-Jun-2020 | H6H_ONIOM_HAT1-C6 | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -226.5627083; Eh | |||
 | 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 |
Results 41-50 of 58 (Search time: 0.001 seconds).