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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Jul-2019TS2_adduct_monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLANL2DZ 6-311G** GEN-2017.78088217; Eh
thumbnail.jpeg17-Jul-20191Int-cis_bisMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-1423.06036328; Eh
thumbnail.jpeg17-Jul-2019Int1_2_monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-961.917007379; Eh
thumbnail.jpeg17-Jul-2019Int1_1_monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-961.914571172; Eh
thumbnail.jpeg17-Jul-2019TS1_bisMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLANL2DZ 6-311G** GEN-1422.98739769; Eh
thumbnail.jpeg17-Jul-2019BnepBenzeneMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-524.948316906; Eh
thumbnail.jpeg17-Jul-2019adductMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-1055.84111585; Eh
thumbnail.jpeg17-Jul-2019FluorobenzeneMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-331.465126634; Eh
thumbnail.jpeg17-Jul-2019phosphineMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-461.103298962; Eh
thumbnail.jpeg17-Jul-2019Post-TS2-adduct-monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-2017.82202830; Eh
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