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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Jul-2020 | HMECP0cs | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31G* SDD GENECP | -9867.35824714; Eh | |||
 | 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 | MECP1s_b | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31G* SDD GENECP | -10019.8226680; 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 | HMECP1cs | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31G* SDD GENECP | -9867.43467390; Eh | |||
 | 7-Jul-2020 | MECP1s | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31G* SDD GENECP | -10019.8806809; 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 | HMECP0bs | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31G* SDD GENECP | -9867.36559398; Eh |
Results 1-10 of 21 (Search time: 0.001 seconds).