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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Feb-2023Optimization_H_complex_l132Escayola, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRBLYPLANL2DZ DEF2TZVP GEN-2435.14781593; Eh
thumbnail.jpeg14-Feb-2023Optimization_H_complex_l95Escayola, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRBLYPLANL2DZ DEF2TZVP GEN-2356.51104972; Eh
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