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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
PPantSCOMefullSS_HF_6-31Gd_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RHF | 6-31G(D) | -4302.41092922; Eh | |||
PPantSCOMefullRS_HF_6-31Gd_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RHF | 6-31G(D) | -4302.43845045; Eh | |||
fragSR2OHax_MP2_6-31plGdp_PCM_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RMP2-FC | 6-31+G(D,P) | -799.090314983; Eh | |||
fragSR2OHeq_MP2_6-31plGdp_PCM_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RMP2-FC | 6-31+G(D,P) | -799.088186984; Eh | |||
fragSS2OHax_MP2_6-31plGdp_PCM_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RMP2-FC | 6-31+G(D,P) | -799.083523658; Eh | |||
fragSS2OHeq_MP2_6-31plGdp_PCM_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RMP2-FC | 6-31+G(D,P) | -799.087030492; Eh | |||
fragRR2OHax_MP2_6-31plGdp_PCM_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RMP2-FC | 6-31+G(D,P) | -799.090628576; Eh | |||
fragRR2OHeq_MP2_6-31plGdp_PCM_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RMP2-FC | 6-31+G(D,P) | -799.084813340; Eh | |||
fragRS2OHax_MP2_6-31plGdp_PCM_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RMP2-FC | 6-31+G(D,P) | -799.086542994; Eh | |||
fragRS2OHeq_MP2_6-31plGdp_PCM_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RMP2-FC | 6-31+G(D,P) | -799.079706899; Eh |
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- 10 Gaussian
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