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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Nov-2019H6PtW6O24(4e_4H)-OLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.81974956; Eh
thumbnail.jpeg1-Nov-2019H6PtW6O24(3e_3H)-OLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27501553; Eh
thumbnail.jpeg29-Oct-2019H4PtW6O24Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2334.58229528; Eh
thumbnail.jpeg29-Oct-2019H2PtW6O24Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2333.61813970; Eh
thumbnail.jpeg29-Oct-2019H1PtW6O24Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2333.11271789; Eh
thumbnail.jpeg29-Oct-2019H3PtW6O24Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2334.11032924; Eh
thumbnail.jpeg1-Nov-2019IRC-TS-H6PtW6O24-3e_3HLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31G(D) 6-31G(D,P) LANL2DZ-2337.25490668; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-TS1-HSMLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUPBE1PBE6-31G(D,P) LANL2DZ GEN-4299.62079875; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-TS2-HSMLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUPBE1PBE6-31G(D,P) LANL2DZ GEN-4300.22548870; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-NHOHLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point StructureUPBE1PBE6-31G(D,P) LANL2DZ GEN-4223.89853720; Eh
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