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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
Login required18-Apr-2017/wB97xD TS2_adduct_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-2478.86988373; Eh
Login required18-Apr-2017/wB97xD TS3_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDLanL2DZ; 6-311G**-1155.32223413; Eh
Login required18-Apr-2017/wB97xD CatMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1091.53055854; Eh
Login required18-Apr-2017/wB97xD NaFBOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--862.448698432; Eh
Login required18-Apr-2017/wB97xD adductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--1055.84111585; Eh
Login required18-Apr-2017/wB97xD BnepFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--393.222873443; Eh
Login required18-Apr-2017/wB97xD phosphineMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--461.103298962; Eh
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