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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Apr-2019 | 1k_Cl | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -1723.6973094; Eh | |||
 | 30-Apr-2019 | MECP_c4-c5-p_T | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G** | -2537.5524323; Eh | |||
 | 30-Apr-2019 | MECP_c4-c5-p_S | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2537.5504821; Eh | |||
 | 30-Apr-2019 | TSOxAdd_c1-c2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2498.1585805; Eh | |||
 | 30-Apr-2019 | MECP_c1-c2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2498.1683493; Eh | |||
 | 30-Apr-2019 | Tp_Cu | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -1134.8338495; Eh | |||
 | 30-Apr-2019 | c1 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -2498.1825042; Eh | |||
 | 30-Apr-2019 | Ms_c2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G** | -2267.099623; Eh | |||
 | 30-Apr-2019 | Br_TS_c2p_c3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G** | -25424.0542274; Eh | |||
 | 30-Apr-2019 | Br_MECP_c4_c5 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** | -25424.0867224; Eh |
Results 511-520 of 532 (Search time: 0.002 seconds).