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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures m062_pha_ts1aG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM062X6-31G(D,P) SDDALL GEN-2741.18617562; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures m062_clusterG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM062X6-31G(D,P) SDDALL GEN-2432.93926043; Eh
thumbnail.jpeg22-Mar-2020/M06_BS1_optimized_structures m06_pha_prod1G. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) SDDALL GEN-2741.27305231; Eh
thumbnail.jpeg22-Mar-2020/M06_BS1_optimized_structures m06_pha_ts1aG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31G(D,P) SDDALL GEN-2741.23843178; Eh
thumbnail.jpeg22-Mar-2020/M06_BS1_optimized_structures ga_m06_dmadG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) GEN-532.773931951; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures m062_phaG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM062X6-31G(D,P) GEN-308.259205547; Eh
thumbnail.jpeg22-Mar-2020/M06_BS1_optimized_structures m06_phaG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D,P) GEN-308.144672628; Eh
thumbnail.jpeg22-Mar-2020/PBE1PBE-D3(BJ)_BS1_optimized_structures d3bjfp_clusterG. Algarra, AndrésGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBE1PBE6-31G(D,P) SDDALL GEN-2432.60734997; Eh
thumbnail.jpeg22-Mar-2020/PBE1PBE_BS1_optimized_structures ga_p0_dmadprodrG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRPBE1PBE6-31G(D,P) SDDALL GEN-2964.98844211; Eh
thumbnail.jpeg22-Mar-2020/PBE1PBE_BS1_optimized_structures fp_pha_prod1G. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRPBE1PBE6-31G(D,P) SDDALL GEN-2740.51909278; Eh
Results 21-30 of 129 (Search time: 0.0 seconds).