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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Dec-2018d01-a3pmo12-opt-pcm-1e_comLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization StructureUB3LYP--4163.34850905; Eh
Login required10-Dec-2018d01-a3pmo12-opt-pcm_comLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization StructureRB3LYP--4163.19533810; Eh
Login required24-Sep-2016Ag4-Pd13-nowatLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--23109.1932097; Eh
Login required24-Sep-2016Ag4-Pd13-water-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--24026.5495118; Eh
Login required24-Sep-2016Ag2-Pd13-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--23276.4880449; Eh
Login required24-Sep-2016Ag1-Pd13-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--22901.4455916; Eh
Login required24-Sep-2016Ag3-Pd15-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--9517.18803180; Eh
Login required24-Sep-2016MgPd12AgNa3_nowat-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--23232.4542874; Eh
Login required15-Nov-2016C3-K-gasLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---769.24442377; eV
Login required15-Nov-2016Facing-K-solLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---775.14754492; eV
Results 1-10 of 31 (Search time: 0.0 seconds).