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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Aug-2018 | aniline | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d) | -287.606134639; Eh | ||||
30-Aug-2018 | PhCOH | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d) | -345.574589447; Eh | ||||
30-Aug-2018 | H2O | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d) | -76.4202716110; Eh | ||||
30-Aug-2018 | III_singlet | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d); sdd | -1038.07780368; Eh | ||||
30-Aug-2018 | I4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d); sdd | -751.729896739; Eh | ||||
30-Aug-2018 | II | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d); sdd | -1147.60619471; Eh |
Results 21-26 of 26 (Search time: 0.001 seconds).