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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Feb-2017facing-k-gas-freqLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexFrequencies---769.10130255; eV
Login required15-Nov-2016Facing-K-gasLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---769.10130560; eV
Login required24-Sep-2016Ag3-Pd15-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--9517.18803180; Eh
Login required15-Nov-2016Facing-solLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---775.01509331; eV
Login required15-Nov-2016S4-k-solLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---775.85138437; eV
Login required15-Nov-2016C3-solLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---775.56729847; eV
Login required24-Sep-2016MgPd12AgNa3_nowat-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--23232.4542874; Eh
Login required24-Sep-2016Ag4-Pd13-nowatLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--23109.1932097; Eh
Login required15-Nov-2016s4-solLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---775.64886198; eV
Login required15-Nov-2016s4-gasLang, Zhong Lingvasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complexGeometry optimization---768.81659083; eV
Results 11-20 of 31 (Search time: 0.001 seconds).