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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Mar-2020/M06HF_BS1_optimized_structures m06hf_pha_prod1G. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM06HF6-31G(D,P) SDDALL GEN-2741.18253956; Eh
thumbnail.jpeg22-Mar-2020/M06HF_BS1_optimized_structures m06hf_pha_ts1arG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM06HF6-31G(D,P) SDDALL GEN-2741.11788504; Eh
thumbnail.jpeg22-Mar-2020/M06HF_BS1_optimized_structures hfga_m06_dmadtsG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM06HF6-31G(D,P) SDDALL GEN-2965.70186498; Eh
thumbnail.jpeg22-Mar-2020/M06HF_BS1_optimized_structures m06hf_clusterG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM06HF6-31G(D,P) SDDALL GEN-2432.81097328; Eh
thumbnail.jpeg22-Mar-2020/M06HF_BS1_optimized_structures hfga_m06_dmadG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM06HF6-31G(D,P) GEN-532.881228045; Eh
thumbnail.jpeg22-Mar-2020/M06HF_BS1_optimized_structures m06hf_phaG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM06HF6-31G(D,P) GEN-308.313440849; Eh
thumbnail.jpeg22-Mar-2020/M06HF_BS1_optimized_structures hfga_m06_dmadprodrfG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Single point StructureRM06HF6-31G(D,P) SDDALL GEN-2965.76681385; Eh
Results 1-7 of 7 (Search time: 0.001 seconds).