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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2019 | INT1 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -3177.65954179; Eh | |||
 | 2-May-2019 | INT3noa | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -2756.80792841; Eh | |||
 | 2-May-2019 | INT1noa | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -2756.80628508; Eh | |||
 | 2-May-2019 | H2O | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -76.4089533236; Eh | |||
 | 2-May-2019 | INT5noa | Besora, Maria | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RB3LYP | - | -2680.39005809; Eh | |||
 | 2-May-2019 | INT9 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -3101.24187895; Eh | |||
 | 2-May-2019 | INT5 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -3101.23415469; Eh | |||
 | 2-May-2019 | catalyst_H2O | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -2024.97317164; Eh | |||
 | 2-May-2019 | INT4noa | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -2680.38656520; Eh | |||
 | 2-May-2019 | INT3 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -3177.66599070; Eh |
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