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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Nov-2018_withPt_static_F_F2nadFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--174.56949911; eV
thumbnail.jpeg5-Nov-2018_CN_1_5Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--183.94472228; eV
thumbnail.jpeg5-Nov-2018_F_3_5Fako, Edvinvasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complexSingle pointDFT--174.20664704; eV
thumbnail.jpeg8-May-2019/CoN4 CoN4-CO2Prslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--672.86715602; eV
thumbnail.jpeg5-Nov-2018_withoutyPt_static_OH_OH2vedleFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--185.19033420; eV
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-bpinauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-732.9702207; Eh
thumbnail.jpeg5-Nov-2018_withoutyPt_static_CN_CN1nadFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--180.90996150; eV
thumbnail.jpeg5-Nov-2018_withPt_static_H_H2nadFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--174.24102216; eV
thumbnail.jpeg5-Nov-2018_withPt_static_F_F1nadFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--172.15827614; eV
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-h2k_newBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-29.3266957; Eh
Results 22701-22710 of 103529 (Search time: 0.013 seconds).