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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Jun-2018 | /DMF_solvent/Cluster_DMF Cluster-4_DMF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(d) | -993.785438959; Eh | |||
 | 21-Jun-2018 | /DMF_solvent/Cluster_DMF Cluster-7_DMF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(d) | -1739.14073511; Eh | |||
 | 21-Jun-2018 | /DMF_solvent/Cluster_DMF Cluster-8_DMF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(d) | -1987.58958653; Eh | |||
 | 21-Jun-2018 | /DMF_solvent/Cluster_DMF Cluster-5_DMF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(d) | -1242.23522534; Eh | |||
 | 21-Jun-2018 | /DMF_solvent/Cluster_DMF Cluster-6_DMF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(d) | -1490.68909612; Eh | |||
 | 21-Jun-2018 | /DMF_solvent/Cluster_DMF Cluster-3_DMF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(d) | -745.332803858; Eh | |||
 | 21-Jun-2018 | /DMF_solvent/Cluster_DMF Cluster-2_DMF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(d) | -496.885751227; Eh | |||
 | 21-Jun-2018 | /DMF_solvent/Cluster_DMF Cluster-1_DMF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31G(d) | -248.438223841; Eh | |||
 | 21-Jun-2018 | /DMF_solvent 4b-ionpair_DMF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | SDD; 6-31G(d) | -3441.68688851; Eh | |||
 | 21-Jun-2018 | /DMF_solvent 4b-cat-II_DMF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | SDD; 6-31G(d) | -2867.89993197; Eh |
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