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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//ht_paper_misc h2_h2o_b3lyp//ht_paper_misc/h2_h2o_b3lyp H2O b3lyp-H2OCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYP6-31G(D,P) 6-31+G(D) GEN-76.4471598947; Eh
thumbnail.jpeg25-Feb-2021//ht_paper_misc h2_h2o_b3lyp//ht_paper_misc/h2_h2o_b3lyp H2 b3lyp-H2Craig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYP6-31G(D,P) GEN-1.17586644520; Eh
thumbnail.jpeg3-May-2019b3lyp-Co-16-OH-IIICraig, MichaelGaussian; 09; AM64L-G09RevA.02Geometry optimization MinimumRB3LYPlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1765.05975509; Eh
thumbnail.jpeg3-May-2019b3lyp-Ru-9-OOHREDOXEDCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRB3LYPlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2059.22985936; Eh
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