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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-May-2018 | /metastable1h2o_without_alkali NB10_opt_BH | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -2753.70537047; Eh | |||
 | 11-May-2018 | /mechanism_without_alkali NB10_opt_EHCH | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -2830.09060341; Eh | |||
 | 11-May-2018 | /metastable1h2o_without_alkali NB10_opt_CH | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -2753.71908515; Eh | |||
 | 11-May-2018 | /metastable1h2o_with_lithium NB10_Li_C2_BHCLOSE_freq | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -2798.46715164; Eh | |||
 | 11-May-2018 | /positionsp1p2p3 NB10_Cs_opt_freq_pos3_ra | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -2697.49015850; Eh | |||
 | 11-May-2018 | /positionsp1p2p3 NB10_K_opt_freq_pos3_ra | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -2705.65015424; Eh | |||
 | 11-May-2018 | /positionsp1p2p3 NB10_Cs_opt_freq_pos2_ra | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -2697.49165806; Eh | |||
 | 11-May-2018 | /positionsp1p2p3 NB10_Cs_opt_freq_pos1_ra | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -2697.49082139; Eh | |||
 | 11-May-2018 | /mechanism_cesium NB10_Cs_C1_EHFHEHCH | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -3103.39198418; Eh |
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