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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
fragSR2OHax_B3LYP_6-31plGdp_PCM_ener_opt_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | -803.788800875; Eh | |||
fragSR2OHeq_B3LYP_6-31plGdp_PCM_ener_opt_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | -803.789553820; Eh | |||
fragSS2OHax_B3LYP_6-31plGdp_PCM_ener_opt_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | -803.784472117; Eh | |||
fragSS2OHeq_B3LYP_6-31plGdp_PCM_ener_opt_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | -803.787632625; Eh | |||
fragRR2OHax_B3LYP_6-31plGdp_PCM_ener_opt_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | -803.791514210; Eh | |||
fragRR2OHeq_B3LYP_6-31plGdp_PCM_ener_opt_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | -803.786045333; Eh | |||
fragRS2OHax_B3LYP_6-31plGdp_PCM_ener_opt_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | -803.785922021; Eh | |||
fragRS2OHeq_B3LYP_6-31plGdp_PCM_ener_opt_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | -803.782238082; Eh |
Results 1-8 of 8 (Search time: 0.002 seconds).