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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-20178_tbu_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-2450.15621155; Eh
thumbnail.jpeg29-Sep-20172_tbu_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-2010.47528719; Eh
thumbnail.jpeg29-Sep-20173Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+g(d)-1858.15055969; Eh
thumbnail.jpeg29-Sep-20176minor_tbu_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3868.88559260; Eh
thumbnail.jpeg29-Sep-2017TSminor_c_phenylFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3829.50950985; Eh
thumbnail.jpeg29-Sep-2017TSmajor_tbu_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3868.82383426; Eh
thumbnail.jpeg29-Sep-2017TSminor_d_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUwB97XDlanl2dz; 6-31+g(d)-4647.77025491; Eh
thumbnail.jpeg29-Sep-2017TSmajor_d_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUwB97XDlanl2dz; 6-31+g(d)-4647.77621153; Eh
thumbnail.jpeg29-Sep-20174_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-2529.39739093; Eh
thumbnail.jpeg29-Sep-20178_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUwB97XDlanl2dz; 6-31+g(d)-2528.82745763; Eh
Results 31-40 of 257 (Search time: 0.001 seconds).