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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-Br-spiroC5-1THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2938.68638958; Eh | |||
 | 27-Feb-2018 | K-Br-C6-2THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2979.31044044; Eh | |||
 | 27-Feb-2018 | K-I-C5-0THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2473.18111022; Eh | |||
 | 27-Feb-2018 | K-I-C5-1THF-I5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2705.60027043; Eh | |||
 | 27-Feb-2018 | spiro-P5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | - | -720.538565695; Eh | |||
 | 27-Feb-2018 | K-Br-spiroC5-2THF-I5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -3171.12010537; Eh | |||
 | 27-Feb-2018 | Na-Br-C5-1THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2841.56412730; Eh | |||
 | 27-Feb-2018 | Na-Br-C5-2THF-TS2 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -3073.96454498; Eh | |||
 | 27-Feb-2018 | K-Br-C4-0THF-TS2 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2435.58313565; Eh | |||
 | 27-Feb-2018 | Br-C6-I3 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2252.93727799; Eh |
Results 281-290 of 384 (Search time: 0.002 seconds).