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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Feb-2022TSInt1-2a_2BrEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD LANL2DZ GENECP-3585.99715879; Eh
thumbnail.jpeg21-Feb-2022TSInt1-2a_2MeEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-3639.43033644; Eh
thumbnail.jpeg21-Feb-2022TSInt1-2bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-3560.78855059; Eh
thumbnail.jpeg21-Feb-2022Int2bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-3560.80112958; Eh
thumbnail.jpeg21-Feb-2022Int2a_pClEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD LANL2DZ GENECP-3575.19463318; Eh
thumbnail.jpeg21-Feb-2022Int2a_2BrEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD LANL2DZ GENECP-3586.01409975; Eh
thumbnail.jpeg21-Feb-2022Int2a_2MeEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-3639.44511608; Eh
thumbnail.jpeg21-Feb-2022GEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-3131.13737534; Eh
thumbnail.jpeg21-Feb-20227jEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* LANL2DZ GENECP-904.423049858; Eh
thumbnail.jpeg21-Feb-20227rEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* LANL2DZ GENECP-915.244818514; Eh
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