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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_F_9BBN_atfms | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | TZVP | -4093.39086101; 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_atfms_CO2 | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | TZVP | -3843.79426857; 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_Cy | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -3036.51279269; Eh | |||
 | 1-Oct-2021 | CsI | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP GEN | -318.070699973; Eh | |||
 | 1-Oct-2021 | Cu_F_9BBN_pCF3styr | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -3886.99348969; 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 |
Results 11-20 of 99 (Search time: 0.001 seconds).