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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2019 | TS4_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -2679.6138424; Eh | |||
 | 2-May-2019 | INT9 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -3101.24187895; Eh | |||
 | 2-May-2019 | TS1 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | - | -3177.65767668; Eh | |||
 | 2-May-2019 | TS2 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | - | -3177.65709854; Eh | |||
 | 2-May-2019 | TS4 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point TS | RB3LYP | - | -2680.38598013; Eh | |||
 | 2-May-2019 | TS3 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB3LYP | - | - | |||
 | 2-May-2019 | INT10 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -3177.67635251; Eh | |||
 | 2-May-2019 | TS2noa | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | - | -2756.80206454; Eh | |||
 | 2-May-2019 | INT4_m06sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -3100.3282563; Eh | |||
 | 2-May-2019 | TS6 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | - | -3177.65375734; Eh |
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