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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Jul-2019CODMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G** GEN-312.015145030; Eh
thumbnail.jpeg17-Jul-2019NiCODMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-793.391945770; Eh
thumbnail.jpeg17-Jul-2019Post-TS2-adduct-monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-2017.82202830; Eh
thumbnail.jpeg17-Jul-2019Int2_1monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-1155.31795408; Eh
thumbnail.jpeg17-Jul-2019TS3_monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLANL2DZ 6-311G** GEN-1155.32223413; Eh
thumbnail.jpeg17-Jul-2019TS1_bisMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLANL2DZ 6-311G** GEN-1422.98739769; Eh
thumbnail.jpeg17-Jul-2019TS-iso1_monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLANL2DZ 6-311G** GEN-961.912128846; 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
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