1. Institute of Chemical Research of Catalonia

Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 6058 to 6077 of 19705 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required18-Apr-2017/M06-2X TS-iso1_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1422.88848227; Eh
Showing results 6058 to 6077 of 19705 < previous   next >