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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2019Post_hydride_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1940.43681816; Eh
thumbnail.jpeg24-Jun-2019Mo-1cArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1795.74903391; 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-opt-1-freqLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point StructureRM066-31G(D,P) LANL2DZ GEN-4166.08376540; Eh
thumbnail.jpeg9-Feb-2021H2PtV6-optLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2869.84225742; Eh
thumbnail.jpeg4-Jun-201815FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2007.56551436; Eh
thumbnail.jpeg4-Jun-201813FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2008.74394803; Eh
thumbnail.jpeg4-Jun-2018TS07-08FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-2007.56202517; Eh
thumbnail.jpeg4-Jun-201809FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2007.56014912; Eh
thumbnail.jpeg4-Jun-201808FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2007.56528925; Eh
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