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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Mar-2020/wB97XD_BS1_optimized_structures ga_W_dmadprodrG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) SDDALL GEN-2966.65992399; Eh
thumbnail.jpeg22-Mar-2020/wB97XD_BS1_optimized_structures w_pha_prod1G. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XD6-31G(D,P) SDDALL GEN-2742.03636715; Eh
thumbnail.jpeg22-Mar-2020/wB97XD_BS1_optimized_structures ga_W_dmadtsaG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRwB97XD6-31G(D,P) SDDALL GEN-2966.62128452; Eh
thumbnail.jpeg22-Mar-2020/wB97XD_BS1_optimized_structures ga_W_dmadG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-532.897902258; Eh
thumbnail.jpeg22-Mar-2020/wB97XD_BS1_optimized_structures w_clusterG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XD6-31G(D,P) SDDALL GEN-2433.72103893; Eh
thumbnail.jpeg22-Mar-2020/wB97XD_BS1_optimized_structures w_pha_ts1G. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRwB97XD6-31G(D,P) SDDALL GEN-2741.99155410; Eh
thumbnail.jpeg22-Mar-2020/wB97XD_BS1_optimized_structures w_phaG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-308.282997251; Eh
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