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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Nov-2019H2-S3-from-_H6PtW6O24_4e_4H(Pt)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.86196562; Eh
thumbnail.jpeg12-Nov-2019H2-S1-from-_H6PtW6O24_4e_4H(Pt)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.88047457; Eh
thumbnail.jpeg12-Nov-2019IRC-TS-3e_3HLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31G(D) 6-31G(D,P) LANL2DZ-2337.25490668; Eh
thumbnail.jpeg12-Nov-2019IRC_TS-4e_4H-reverseLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31G(D) 6-31G(D,P) LANL2DZ-2337.84207751; Eh
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.jpeg9-Feb-2021SiW11Pt-HER-TS-S3Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-4168.89130292; Eh
thumbnail.jpeg9-Feb-2021SiW11Pt-TS-S3-freqLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point StructureUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-4168.89130292; Eh
thumbnail.jpeg9-Feb-2021siw11pt-5H-4e-H2-S3-freqLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point StructureUM066-31G(D,P) LANL2DZ GEN-4168.94097089; Eh
thumbnail.jpeg9-Feb-2021siw11pt-5H-4e-H2-S1-freqLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point StructureRM066-31G(D,P) LANL2DZ GEN-4168.97030752; Eh
thumbnail.jpeg9-Feb-2021siw11pt-5H-4e-Pt-S3-freqLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point StructureUM066-31G(D,P) LANL2DZ GEN-4168.96673604; Eh
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