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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Mar-2018 | c3p | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | ONIOM; wB97XD; UFF | 6-311+G** | -1565.41828498; Eh | |||
 | 8-Mar-2018 | c6p | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | ONIOM; wB97XD; UFF | 6-311+G** | -1468.41507785; Eh | |||
 | 8-Mar-2018 | TS-c3-c4 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | ONIOM; wB97XD; UFF | 6-311+G** | -1875.06755227; Eh | |||
 | 8-Mar-2018 | c6_T | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | ONIOM; wB97XD; UFF | 6-311+G** | -1468.40409295; Eh | |||
 | 6-Sep-2018 | 2_ONIOM_UFF | Funes-Ardoiz, Ignacio | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | ONIOM; wB97XD; UFF | LANL2DZ; 6-31G* | -1350.86233600; Eh | |||
 | 6-Sep-2018 | 1_ONIOM_UFF | Funes-Ardoiz, Ignacio | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | ONIOM; wB97XD; UFF | LANL2DZ; 6-31G* | -1350.86512279; Eh |
Results 21-26 of 26 (Search time: 0.002 seconds).