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 197581 to 197600 of 197775 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2020/TS/1Mn 1Mn_tsothermeCraig, MichaelGaussian; 09; EM64L-G09RevA.02Geometry optimization TSUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1021.68104619; Eh
thumbnail.jpeg5-May-2020/TS/1Mn/scan 1Mn_scan_ObbCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point Structure-LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D)-1021.68876306; Eh
thumbnail.jpeg5-May-2020/TS/1Mn/ts_search 1Mn_O_tsCraig, MichaelGaussian; 09; EM64L-G09RevA.02Geometry optimization TSUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1021.68858280; Eh
thumbnail.jpeg4-Jun-2018TS02-01Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-1606.81776816; Eh
thumbnail.jpeg4-Jun-2018TS02-03Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-2006.36996758; Eh
thumbnail.jpeg4-Jun-2018TS04-01Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-2007.56102131; Eh
thumbnail.jpeg4-Jun-2018TS07-08DMFArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1855.22250969; Eh
thumbnail.jpeg4-Jun-2018TS07-08FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-2007.56202517; Eh
thumbnail.jpeg4-Jun-2018TS08-09DMFArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1855.22330605; Eh
thumbnail.jpeg4-Jun-2018TS08-09FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-31+G**-2007.56019224; Eh
thumbnail.jpeg28-Apr-2020TS1Garcia Melchor, MaxGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1915.49048819; Eh
Login required29-Mar-2020TS1-AsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-13979.6908342; Eh
thumbnail.jpeg27-Feb-2020TS1-E_cis_inPetter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
thumbnail.jpeg27-Feb-2020TS1-E_cis_outPetter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
thumbnail.jpeg27-Feb-2020TS1-E_trans_inPetter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
thumbnail.jpeg27-Feb-2020TS1-E_trans_outPetter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
Login required29-Mar-2020TS1-noAsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-11051.5009392; Eh
thumbnail.jpeg23-Oct-2019TS10Petter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
thumbnail.jpeg4-Jun-2018TS10-11DMFArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-650.251323185; Eh
thumbnail.jpeg4-Jun-2018TS10-11FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-31+G**-802.558120418; Eh