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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Jul-2020 | NTs_trip | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31G* GENECP | -874.183417106; Eh | |||
 | 7-Jul-2020 | HI1ct | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31G* SDD GENECP | -9867.38211325; Eh | |||
 | 7-Jul-2020 | HI2bt | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31G* SDD GENECP | -9867.39201128; Eh | |||
 | 7-Jul-2020 | R1t | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31G* SDD GENECP | -9672.05725859; Eh | |||
 | 7-Jul-2020 | HI1bt | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31G* SDD GENECP | -9867.38206371; Eh | |||
 | 7-Jul-2020 | HTS1b | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31G* SDD GENECP | -9867.36759151; Eh | |||
 | 7-Jul-2020 | HI2at | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31G* SDD GENECP | -9867.39741685; Eh | |||
 | 7-Jul-2020 | HI2ct | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31G* SDD GENECP | -9867.43485636; Eh | |||
 | 7-Jul-2020 | HI1at | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31G* SDD GENECP | -9867.38289221; Eh | |||
 | 7-Jul-2020 | I1t | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31G* SDD GENECP | -10019.8168520; Eh |
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