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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Nov-2019IRC_TS-4e_4H-forwardLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31G(D) 6-31G(D,P) LANL2DZ-2337.84706623; Eh
thumbnail.jpeg29-Oct-2019H2-S1-from-H6PtW6O24(4e_4H)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.88047457; Eh
thumbnail.jpeg1-Nov-2019PtW6O24Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) LANL2DZ GEN-2332.59459446; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-NH2-H2OLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4270.96918135; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-NH3Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4271.65340999; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-TS1-HSMLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUPBE1PBE6-31G(D,P) LANL2DZ GEN-4345.46237996; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-NH4Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4272.12318732; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-TS1-PCMLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUPBE1PBE6-31G(D,P) LANL2DZ GEN-4269.08859174; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-2NOLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point StructureUPBE1PBE6-31G(D,P) LANL2DZ GEN-4398.25937192; Eh
thumbnail.jpeg1-Nov-2019H6PtW6O24(4e_4H)-PtLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.82414427; Eh
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