Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-2017TSmajor_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUwB97XDlanl2dz; 6-31+g(d)-3947.49754039; Eh
thumbnail.jpeg29-Sep-20177minor_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-3947.42294477; Eh
thumbnail.jpeg3-Feb-2017F_solventFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--1968.85589687; Eh
thumbnail.jpeg3-Feb-2017D_solventFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--1968.88215506; Eh
thumbnail.jpeg3-Feb-2017TS3_solventFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--1968.82808174; Eh
thumbnail.jpeg3-Feb-2017TS1_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; M062X; UFF--983.264095149; Eh
thumbnail.jpeg3-Feb-2017TS2_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; M062X; UFF--983.258099066; Eh
thumbnail.jpeg3-Feb-2017Water_solvFernández, VíctorGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--76.4253004768; Eh
thumbnail.jpeg3-Feb-2017C_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--1352.92390868; Eh
thumbnail.jpeg3-Feb-2017Water_gasFernández, VíctorGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--76.4207896597; Eh
Results 51-60 of 244 (Search time: 0.002 seconds).