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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_MECP_c1_c2_F | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2267.0419802; Eh | |||
 | 30-Apr-2019 | Ms_MECP_c4_c5 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2267.1015981; Eh | |||
 | 30-Apr-2019 | Ms_MECP_c1_c2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2267.0465911; Eh | |||
 | 30-Apr-2019 | c2x-p | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G** | -2537.5463538; Eh | |||
 | 30-Apr-2019 | Ms_c4 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G** | -2267.1247567; Eh | |||
 | 30-Apr-2019 | c2-p | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G** | -2537.5523797; Eh | |||
 | 30-Apr-2019 | MECP_c4-c5_Cl_T | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G** | -2858.5982028; Eh | |||
 | 30-Apr-2019 | NCMe | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -132.8027199; Eh | |||
 | 30-Apr-2019 | MECP_c8-c3_T | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G** | -2498.2248042; Eh | |||
 | 30-Apr-2019 | TS_c2p_c3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G** | -2498.2016584; Eh |
Results 21-30 of 97 (Search time: 0.002 seconds).