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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Mar-2020/B97D3_BS1_optimized_structures b97d3_clusterG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB97D36-31G(D,P) SDDALL GEN-2434.20214916; Eh
thumbnail.jpeg22-Mar-2020/B97D3_BS1_optimized_structures ga_b97d3_proddmadG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB97D36-31G(D,P) SDDALL GEN-2967.00183373; Eh
thumbnail.jpeg22-Mar-2020/B97D3_BS1_optimized_structures b97d3_pha_ts1ai19rG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRB97D36-31G(D,P) SDDALL GEN-2742.39912269; Eh
thumbnail.jpeg22-Mar-2020/B97D3_BS1_optimized_structures b97d3_pha_prod1G. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB97D36-31G(D,P) SDDALL GEN-2742.42558918; Eh
thumbnail.jpeg22-Mar-2020/B97D3_BS1_optimized_structures ga_b97d3_tsdmadG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRB97D36-31G(D,P) SDDALL GEN-2966.97896887; Eh
thumbnail.jpeg22-Mar-2020/B97D3_BS1_optimized_structures ga_b97d3_dmadG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB97D36-31G(D,P) GEN-532.754837393; Eh
thumbnail.jpeg22-Mar-2020/B97D3_BS1_optimized_structures b97d3_phaG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB97D36-31G(D,P) GEN-308.186195910; Eh
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