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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Feb-2018 | B-OtBu | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | - | -487.128328138; Eh | |||
 | 27-Feb-2018 | K-Br-spiroC5-3THF-I5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -3403.58956951; Eh | |||
 | 27-Feb-2018 | K-Br-C5-2THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2939.89395756; Eh | |||
 | 27-Feb-2018 | K-Br-spiroC5-2THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -3171.15374258; Eh | |||
 | 27-Feb-2018 | K-Br-spiroC5-0THF-I5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2706.18041799; Eh | |||
 | 27-Feb-2018 | K-Br-C5-3THF-TS2 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -3172.30309819; Eh | |||
 | 27-Feb-2018 | K-I-C6-1THF-I5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2744.90311908; Eh | |||
 | 27-Feb-2018 | K-Br-C6-3THF-I5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | 6-311++g** | -3211.63697495; Eh | |||
 | 27-Feb-2018 | K-Br-C5-2THF-I5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2939.85866596; Eh | |||
 | 27-Feb-2018 | K-I-C5-0THF-TS2 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2473.10931859; Eh |
Results 11-20 of 124 (Search time: 0.001 seconds).