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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Oct-2021 | CyCOO_Cs | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Structure | RB3LYP | TZVP DEF2SVP GEN | -444.265897647; Eh | |||
 | 1-Oct-2021 | Cy_9BBN | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -573.656326268; Eh | |||
 | 1-Oct-2021 | F_9BBN | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -438.229385723; Eh | |||
 | 1-Oct-2021 | cyclohexene | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -234.744003538; Eh | |||
 | 1-Oct-2021 | Cu_Cy_CO2 | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -3225.18291423; Eh | |||
 | 1-Oct-2021 | Cu_atfms | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -3655.12450839; Eh | |||
 | 1-Oct-2021 | Cu_F_9BBN_Cy | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -3474.78358033; Eh | |||
 | 1-Oct-2021 | Cu_F_9BBN_tfmvs_am | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -4054.06521641; Eh | |||
 | 1-Oct-2021 | Cu_F_9BBN_tfmvs_m | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -4054.06462884; Eh | |||
 | 1-Oct-2021 | Cu_hfib_CO2_am | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -3743.45390009; Eh |
Results 31-40 of 901 (Search time: 0.001 seconds).