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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
2a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* GEN | -583.384583717; Eh | |||
1a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* GEN | -540.276142487; Eh |
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