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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-20171Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+g(d)-440.126977109; Eh
thumbnail.jpeg29-Sep-20174_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-2529.39739093; Eh
thumbnail.jpeg29-Sep-20173Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+g(d)-1858.15055969; Eh
thumbnail.jpeg29-Sep-20175_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-2528.91819204; Eh
thumbnail.jpeg29-Sep-20177major_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-3947.42424765; Eh
thumbnail.jpeg29-Sep-20177minor_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-3947.42294477; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n2-i1add-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1259.92624089; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n2-i1add-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1259.90667255; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n2-i1add-dcmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1259.92514626; Eh
thumbnail.jpeg16-Jul-2018/Ru-PMe-OAc-Cl 1mFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDsdd; 6-31+g*-1591.26859947; Eh
Results 1-10 of 128 (Search time: 0.002 seconds).