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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Feb-2018 | K-I-C6-1THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2745.07190899; Eh | |||
 | 27-Feb-2018 | Br-C4-TS1 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2174.29200017; Eh | |||
 | 27-Feb-2018 | K-I-C5-3THF-I5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -3170.54373183; Eh | |||
 | 27-Feb-2018 | I-R5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -246.637141303; Eh | |||
 | 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 |
Results 301-310 of 384 (Search time: 0.002 seconds).