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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Oct-2021 | Cu_I_IPr | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP DEF2SVP GEN | -3099.03313622; Eh | |||
 | 1-Oct-2021 | Cu_hfib_m | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -3554.80322469; Eh | |||
 | 1-Oct-2021 | TS_BH_am_pCF3styr | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -985.812196110; Eh | |||
 | 1-Oct-2021 | TS_BH_m_pCF3styr | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -985.810185806; Eh | |||
 | 1-Oct-2021 | TS_BH_m_atfms | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -1192.19915626; Eh | |||
 | 1-Oct-2021 | TS_BH_am_tfmb | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -794.006858018; Eh | |||
 | 1-Oct-2021 | TS_BH_am_hfib | Jover Modrego, Jesús | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -1091.83288988; Eh | |||
 | 1-Oct-2021 | TS_BH_m_hfib | Jover Modrego, Jesús | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -1091.83090985; Eh | |||
 | 1-Oct-2021 | TS_BH_m_tfmb | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -794.003474183; Eh | |||
 | 1-Oct-2021 | TS_BH_Cy | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -573.599547942; Eh |
Results 51-60 of 901 (Search time: 0.001 seconds).