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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-C5-2THF-I5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2938.07257439; Eh | ||||
27-Feb-2018 | Br-R6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -287.739059222; Eh | ||||
27-Feb-2018 | K-Br-C4-1THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2668.17836549; Eh | ||||
27-Feb-2018 | Na-Br-C5-3THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -3306.48564208; Eh | ||||
27-Feb-2018 | K-Br-C5-1THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2707.42492804; Eh | ||||
27-Feb-2018 | K-Br-C4-0THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2435.64373729; Eh | ||||
27-Feb-2018 | K-I-C6-0THF-I5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2512.42461424; Eh | ||||
27-Feb-2018 | C5-I7 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2433.49288004; Eh | ||||
27-Feb-2018 | K-Br-C5-1THF-TS2 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2707.36556973; Eh | ||||
27-Feb-2018 | K-I-C6-2THF-I6 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2977.53563685; Eh |
Results 291-300 of 384 (Search time: 0.002 seconds).