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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Feb-2017 | F_solvent | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1968.85589687; Eh | |||
 | 3-Feb-2017 | D_solvent | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1968.88215506; Eh | |||
 | 3-Feb-2017 | Water_solv | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -76.4253004768; Eh | |||
 | 3-Feb-2017 | Water_gas | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -76.4207896597; Eh | |||
 | 3-Feb-2017 | TS2_solvent | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1968.78699666; Eh | |||
 | 3-Feb-2017 | TS3_solvent | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1968.82808174; Eh | |||
 | 3-Feb-2017 | TS1_solvent | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RM062X | - | -1968.79114978; Eh | |||
 | 3-Feb-2017 | C_gas | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1352.92390868; Eh | |||
 | 3-Feb-2017 | H_solvent | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -2045.29984337; Eh | |||
 | 3-Feb-2017 | TS3-H2O_solvent | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1968.82808174; Eh |
Results 1-10 of 15 (Search time: 0.0 seconds).