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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Mar-2020/BP86-D3(BJ)_BS1_optimized_structures ff_pha_prod1G. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRBP866-31G(D,P) SDDALL GEN-2743.15622923; Eh
thumbnail.jpeg22-Mar-2020/BP86-D3(BJ)_BS1_optimized_structures ff_clusterG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRBP866-31G(D,P) SDDALL GEN-2434.69739859; Eh
thumbnail.jpeg22-Mar-2020/BP86-D3(BJ)_BS1_optimized_structures ff_pha_ts1xG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRBP866-31G(D,P) SDDALL GEN-2743.12556467; Eh
thumbnail.jpeg22-Mar-2020/BP86-D3(BJ)_BS1_optimized_structures ga_bp86db_dmadG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRBP866-31G(D,P) GEN-533.099160663; Eh
thumbnail.jpeg22-Mar-2020/BP86-D3(BJ)_BS1_optimized_structures ff_phaG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRBP866-31G(D,P) GEN-308.406630848; Eh
thumbnail.jpeg22-Mar-2020/BP86_BS1_optimized_structures ga_bN_bmodm_prod_dmad_r_scbidi_testallafaG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRBP866-31G(D,P) SDDALL GEN-2967.51741705; Eh
thumbnail.jpeg22-Mar-2020/BP86_BS1_optimized_structures gabN_bmodm_ts1_phA1_prodrG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRBP866-31G(D,P) SDDALL GEN-2742.83938082; Eh
thumbnail.jpeg22-Mar-2020/BP86_BS1_optimized_structures gabN_bmodm_ts1_phA1G. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRBP866-31G(D,P) SDDALL GEN-2742.81108493; Eh
thumbnail.jpeg22-Mar-2020/BP86_BS1_optimized_structures gabN_bmodm_reacp8G. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRBP866-31G(D,P) SDDALL GEN-2434.44018455; Eh
thumbnail.jpeg22-Mar-2020/BP86_BS1_optimized_structures gaN_bmodm_PhAG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRBP866-31G(D,P) GEN-308.384259636; Eh
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