1. Institute of Chemical Research of Catalonia

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Showing results 23780 to 23799 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Mar-2023MEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUBP866-31G* SDD GENECP-3577.18336273; Eh
Login required18-Apr-2017/M06-2X 1Int-cis_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1422.92095120; Eh
Login required18-Apr-2017/M06-2X 1Int_trans_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1422.93270057; Eh
Login required18-Apr-2017/M06-2X 2Int_trans_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1616.32130695; Eh
Login required18-Apr-2017/M06-2X adductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1055.76477778; Eh
Login required18-Apr-2017/M06-2X B2nep2Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--586.572873825; Eh
Login required18-Apr-2017/M06-2X BnepBenzeneMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--524.909085165; Eh
Login required18-Apr-2017/M06-2X BnepFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--393.200332028; Eh
Login required18-Apr-2017/M06-2X BnepOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--600.175852843; Eh
Login required18-Apr-2017/M06-2X CatMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1091.40667549; Eh
Login required18-Apr-2017/M06-2X FluorobenzeneMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--331.442823131; Eh
Login required18-Apr-2017/M06-2X In1_2_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-961.833465951; Eh
Login required18-Apr-2017/M06-2X Int1_1monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-961.830064350; Eh
Login required18-Apr-2017/M06-2X Int2_1_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1155.20901680; Eh
Login required18-Apr-2017/M06-2X Int2_2_monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1155.21472491; Eh
Login required18-Apr-2017/M06-2X NaMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--162.149036826; Eh
Login required18-Apr-2017/M06-2X NaFMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--262.109393011; Eh
Login required18-Apr-2017/M06-2X NaFBOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--862.393278087; Eh
Login required18-Apr-2017/M06-2X NaOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--469.140307082; Eh
Login required18-Apr-2017/M06-2X phosphineMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--461.049678120; Eh
Showing results 23780 to 23799 of 62999 < previous   next >