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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Jul-2020 | MECP1t_a | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* SDD GENECP | -10019.8203020; Eh | |||
 | 7-Jul-2020 | HMECP1ct | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* SDD GENECP | -9867.43466793; Eh | |||
 | 7-Jul-2020 | HMECP0ct | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* SDD GENECP | -9867.35825168; Eh | |||
 | 7-Jul-2020 | MECP1t_b | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* SDD GENECP | -10019.8226648; Eh | |||
 | 7-Jul-2020 | MECP1t | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* SDD GENECP | -10019.8806907; Eh | |||
 | 7-Jul-2020 | HMECP1bt | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* SDD GENECP | -9867.39076113; Eh | |||
 | 7-Jul-2020 | HMECP0at | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* SDD GENECP | -9867.35954946; Eh | |||
 | 7-Jul-2020 | HMECP0bt | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* SDD GENECP | -9867.36559175; Eh | |||
 | 7-Jul-2020 | HMECP1at | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* SDD GENECP | -9867.38951727; Eh | |||
 | 7-Jul-2020 | MECP2t | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* SDD GENECP | -10894.2101861; Eh |
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