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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
PPantSCOMefullSR_HF_6-31Gd_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RHF | 6-31G(D) | -4302.39791516; Eh | |||
PPantSCOMefullRR_HF_6-31Gd_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RHF | 6-31G(D) | -4302.41455636; Eh |
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