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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-May-2018/positionsp1p2p3 NB10_K_opt_freq_pos1_raSegado, MireiaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--2705.65132226; Eh
thumbnail.jpeg11-May-2018/positionsp1p2p3 NB10_K_opt_freq_pos2_raSegado, MireiaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--2705.65552348; Eh
thumbnail.jpeg11-May-2018/positionsp1p2p3 NB10_Li_opt_freq_pos3_raSegado, MireiaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--2684.84691913; Eh
thumbnail.jpeg11-May-2018/positionsp1p2p3 NB10_Rb_opt_freq_pos2_raSegado, MireiaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--2701.43239168; Eh
thumbnail.jpeg11-May-2018/positionsp1p2p3 NB10_Li_opt_freq_pos1_raSegado, MireiaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--2684.84905712; Eh
thumbnail.jpeg11-May-2018/positionsp1p2p3 NB10_Li_opt_freq_pos2_raSegado, MireiaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--2684.86205068; Eh
thumbnail.jpeg11-May-2018/positionsp1p2p3 NB10_Rb_opt_freq_pos1_raSegado, MireiaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--2701.43091856; Eh
thumbnail.jpeg11-May-2018/mechanism_without_alkali NB10_opt_EHFHSegado, MireiaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--2830.06806704; Eh
thumbnail.jpeg11-May-2018/positionsp1p2p3 NB10_Rb_opt_freq_pos3_raSegado, MireiaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--2701.42999437; Eh
thumbnail.jpeg11-May-2018/metastable1h2o_without_alkali NB10_opt_DHSegado, MireiaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--2753.72069476; Eh
Results 1-10 of 19 (Search time: 0.001 seconds).