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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Apr-2019 | Ms_c2F | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G** | -2267.0919587; Eh | |||
 | 30-Apr-2019 | Ms_c2S | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2267.0917983; Eh | |||
 | 30-Apr-2019 | Ms_c1F | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2267.0503861; Eh | |||
 | 30-Apr-2019 | c2_D_sec | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* | -2497.65647649; Eh | |||
 | 30-Apr-2019 | c2_D_pri | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31G* | -2497.65647649; Eh | |||
 | 30-Apr-2019 | Ms_c1 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2267.056465; Eh | |||
 | 30-Apr-2019 | 3g | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -1402.6413397; Eh | |||
 | 30-Apr-2019 | 4g | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -1302.2269994; Eh | |||
 | 30-Apr-2019 | Ms_TSOxAdd_c1_c2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2267.0342275; Eh | |||
 | 30-Apr-2019 | Ms_TS_c2p_c3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2267.0384689; Eh |
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