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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jan-2021Lobatin_BSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-1303.18697609; Eh
thumbnail.jpeg7-Dec-2021Cl_prot_amineLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg20-Jan-2021Neoquassin_etherSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVTZ AUG-CC-PVTZ GEN-2538.93119220; Eh
thumbnail.jpeg20-Jan-2021QuinineSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-1036.51136628; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures m062_pha_prod1fG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Single point StructureRM062X6-31G(D,P) SDDALL GEN-2741.22989676; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures ga_m062x_dmadG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM062X6-31G(D,P) GEN-532.859368161; 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/M062X_BS1_optimized_structures ga_m062x_dmadprodG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM062X6-31G(D,P) SDDALL GEN-2965.84133836; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures ga_m062x_dmadtsarrG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM062X6-31G(D,P) SDDALL GEN-2965.80086548; Eh
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
Results 21-30 of 326 (Search time: 0.002 seconds).