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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg1_Garleek_MM3Funes-Ardoiz, IgnacioGaussian; 16; AM64L-G16RevA.03ONIOM; wB97XD; --mm; 'qmmLANL2DZ; 6-31G*-1350.87027843; Eh
thumbnail.jpeg1_ONIOM_UFFFunes-Ardoiz, IgnacioGaussian; 16; AM64L-G16RevA.03ONIOM; wB97XD; UFFLANL2DZ; 6-31G*-1350.86512279; Eh
thumbnail.jpeg2_Garleek_MM3Funes-Ardoiz, IgnacioGaussian; 16; AM64L-G16RevA.03ONIOM; wB97XD; --mm; 'qmmLANL2DZ; 6-31G*-1350.87728548; Eh
thumbnail.jpeg2_ONIOM_UFFFunes-Ardoiz, IgnacioGaussian; 16; AM64L-G16RevA.03ONIOM; wB97XD; UFFLANL2DZ; 6-31G*-1350.86233600; Eh
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