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.jpeg3-Feb-2017A_solventFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--615.796231246; Eh
thumbnail.jpeg3-Feb-2017E_solventFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--2045.30787183; Eh
thumbnail.jpeg3-Feb-2017H_solventFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--2045.29984337; Eh
thumbnail.jpeg3-Feb-2017TS3_gas_Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; M062X; UFF--983.303119139; Eh
thumbnail.jpeg29-Sep-20177major_tbu_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDlanl2dz; 6-31+g(d)-4183.24726772; Eh
thumbnail.jpeg29-Sep-2017TSminor_e_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3227.26689477; Eh
thumbnail.jpeg29-Sep-2017TSmajor_e_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-3227.26777507; Eh
thumbnail.jpeg29-Sep-20175_e_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-1808.69525247; Eh
thumbnail.jpeg29-Sep-20172_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDlanl2dz; 6-31+g(d)-2354.69754347; Eh
thumbnail.jpeg29-Sep-20171Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+g(d)-440.126977109; Eh
Results 21-30 of 244 (Search time: 0.001 seconds).