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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2017MECP1t-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPLANL2DZ; 6-31G(d)-2194.48471880; Eh
thumbnail.jpeg29-Feb-2016Int2a2-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1998.51907924; Eh
thumbnail.jpeg29-Feb-2016Int1b-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1808.19890579; Eh
thumbnail.jpeg14-Jul-2015rS4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-236.230272020; Eh
thumbnail.jpeg3-Feb-2017TS1_solventFernández, VíctorGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--1968.79114978; Eh
thumbnail.jpeg29-Feb-2016FCb-cis-cis-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2464.26037111; Eh
thumbnail.jpeg29-Feb-2016Int3a-cis-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3793.37871613; Eh
thumbnail.jpeg20-Jul-2017MECP1s-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPLANL2DZ; 6-31G(d)-2233.80060063; Eh
thumbnail.jpeg29-Feb-2016TS2b1-cis-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1998.52146423; Eh
thumbnail.jpeg14-Jul-2015rS3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-196.945815632; Eh
Results 1-10 of 4443 (Search time: 0.002 seconds).