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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Jul-2017 | /Methyl_substituent_(R=Me)/Single_Point_Calculations TS7-2-SP-Me | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | LANL2DZ; 6-311++G(d,p) | -2234.25613556; Eh | |||
 | 19-Jul-2017 | /Methyl_substituent_(R=Me)/Single_Point_Calculations TS8-SP-Me | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | LANL2DZ; 6-311++G(d,p) | -2234.28445259; Eh | |||
 | 19-Jul-2017 | /Methyl_substituent_(R=Me)/Single_Point_Calculations TS0-SP-Me | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | LANL2DZ; 6-311++G(d,p) | -2234.20685401; Eh | |||
 | 19-Jul-2017 | /Methyl_substituent_(R=Me)/Single_Point_Calculations TS1-SP-Me | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | LANL2DZ; 6-311++G(d,p) | -2234.24857073; Eh | |||
 | 19-Jul-2017 | /Methyl_substituent_(R=Me)/Single_Point_Calculations TS2-SP-Me | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | LANL2DZ; 6-311++G(d,p) | -2234.25473462; Eh | |||
 | 19-Jul-2017 | /Methyl_substituent_(R=Me)/Single_Point_Calculations TS9-SP-Me | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | LANL2DZ; 6-311++G(d,p) | -2234.28816336; Eh | |||
 | 19-Jul-2017 | /Methyl_substituent_(R=Me)/Single_Point_Calculations I9-SP-Me | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | LANL2DZ; 6-311++G(d,p) | -2234.27244394; Eh | |||
 | 19-Jul-2017 | /Methyl_substituent_(R=Me)/Single_Point_Calculations 3I0ad-SP-Me | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | LANL2DZ; 6-311++G(d,p) | -2234.21354874; Eh | |||
 | 19-Jul-2017 | /Hydrogen_substituent_(R=H) TS1-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | LANL2DZ; 6-31G(d) | -2194.48395042; Eh | |||
 | 19-Jul-2017 | /Hydrogen_substituent_(R=H) TS5-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | LANL2DZ; 6-31G(d) | -2194.48275227; Eh |
Results 11-20 of 69 (Search time: 0.002 seconds).