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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Feb-2017facing-sol-freqLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexFrequencies---775.17660472; eV
Login required27-Feb-2017facing-gas-freqLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexFrequencies---767.95045838; eV
Login required15-Nov-2016C3-gasLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---768.98343454; eV
Login required24-Sep-2016Ag1-Pd13-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--22901.4455916; Eh
Login required27-Feb-2017C3-K-sol-freqLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexFrequencies---775.80580579; eV
Login required24-Sep-2016Ag2-Pd13-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--23276.4880449; Eh
Login required27-Feb-2017C3-sol-freqLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexFrequencies---775.71223244; 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
Login required27-Feb-2017S4-K-sol-freqLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexFrequencies---775.91923317; eV
Login required27-Feb-2017S4-sol-freqLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexFrequencies---775.71734830; eV
Results 21-30 of 31 (Search time: 0.001 seconds).