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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Jan-2019 | Red_H12C12Si | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -753.958064468; Eh | ||||
28-Jan-2019 | Red_H12C12O2Si | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -904.556883341; Eh | ||||
28-Jan-2019 | Red_H12C12OSi | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -829.253683779; Eh | ||||
28-Jan-2019 | Red_I5 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1864.31632491; Eh | ||||
28-Jan-2019 | Red_I6 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1939.61833672; Eh | ||||
28-Jan-2019 | Sys2_I4 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1741.08593990; Eh | ||||
28-Jan-2019 | Sys1_I1 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1658.80450655; Eh | ||||
28-Jan-2019 | Sys1_I2 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1658.78809302; Eh | ||||
28-Jan-2019 | Sys1_I3 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1549.36276545; Eh | ||||
28-Jan-2019 | Sys1_I4 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1549.35563674; Eh |
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