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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Jul-2019 | /EZ_substrate TS2t-3t_EZ | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311++G** GENECP | -720.1067848; Eh | ||||
9-Jul-2019 | PhIO_trimer_H2O | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311++G** GENECP | -1030.7047479; Eh | ||||
9-Jul-2019 | /EZ_substrate 4t_prod_EZ | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311++G** GEN | -477.2692649; Eh | ||||
9-Jul-2019 | /EZ_substrate 2t_EZ | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311++G** GENECP | -720.1469342; Eh | ||||
9-Jul-2019 | /EZ_substrate 1t_EZ | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311++G** GENECP | -720.146634; Eh | ||||
9-Jul-2019 | React | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311++G** GEN | -478.509065; Eh | ||||
9-Jul-2019 | H2O | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311++G** GEN | -76.4290007; Eh | ||||
9-Jul-2019 | TS_5t-6t | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311++G** GENECP | -1440.2695688; Eh | ||||
9-Jul-2019 | TS_2t-3t | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311++G** GENECP | -720.1118918; Eh | ||||
9-Jul-2019 | 4t-PhI | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | 6-311++G** GENECP | -242.9482289; Eh |
Results 1-10 of 22 (Search time: 0.001 seconds).