Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-Mar-2018 | -OtBu | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311+G** | -233.110957850; Eh | ||||
8-Mar-2018 | Benzene | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311+G** | -232.225533473; Eh | ||||
8-Mar-2018 | (C6H6)(bpy)Ni | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311+G** | -896.898032728; Eh | ||||
8-Mar-2018 | LiOtBu | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311+G** | -240.640717108; Eh | ||||
8-Mar-2018 | HOtBu | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311+G** | -233.680591211; Eh | ||||
8-Mar-2018 | Li-Indolate | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311+G** | -370.749092177; Eh | ||||
8-Mar-2018 | Indol | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311+G** | -363.789231467; Eh | ||||
8-Mar-2018 | Product | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311+G** | -610.854842499; Eh | ||||
8-Mar-2018 | Styrene | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311+G** | -309.616404607; Eh | ||||
8-Mar-2018 | Indolate | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311+G** | -363.255727345; Eh |
Results 1-10 of 12 (Search time: 0.001 seconds).