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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
16-Jul-2018 | /Ru-PMe-OAc-Cl 1m | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | sdd; 6-31+g* | -1591.26859947; Eh | ||||
16-Jul-2018 | /Ru-PMe-OAc-Cl 2m | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | sdd; 6-31+g* | -1899.63100088; Eh | ||||
16-Jul-2018 | /Ru-PMe-OAc-Cl 3m | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | sdd; 6-31+g* | -1359.49756405; Eh | ||||
16-Jul-2018 | /Ru-PMe-OAc-Cl I1m | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | sdd; 6-31+g* | -1899.58244705; Eh | ||||
16-Jul-2018 | /Ru-PMe-OAc-Cl 7m | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | sdd; 6-31+g* | -1898.38970278; Eh | ||||
16-Jul-2018 | /Ru-PMe-OAc-Cl 4m | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | sdd; 6-31+g* | -1667.86210072; Eh | ||||
16-Jul-2018 | /Ru-PMe-OAc-Cl 5m | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | sdd; 6-31+g* | -1666.62642309; Eh | ||||
16-Jul-2018 | /Ru-PMe-OAc-Cl I5m | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | sdd; 6-31+g* | -1976.16372307; Eh | ||||
16-Jul-2018 | /Ru-PMe-OAc-Cl I7m | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | sdd; 6-31+g* | -1976.15255387; Eh | ||||
16-Jul-2018 | /Ru-PMe-OAc-Cl I2xm | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | sdd; 6-31+g* | -2207.93303550; Eh |
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