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 2123 to 2142 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Nov-20209aa-Int3Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.27825180; Eh
thumbnail.jpeg14-Nov-20209aa-Int5Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.29165613; Eh
thumbnail.jpeg14-Nov-20209aa-TS1a-5Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.25358617; Eh
thumbnail.jpeg14-Nov-20209aa-TS1b-3Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.25172581; Eh
thumbnail.jpeg14-Nov-20209aa-TS1c-2Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.25159275; Eh
thumbnail.jpeg14-Nov-20209ab-In1bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.26611105; Eh
thumbnail.jpeg14-Nov-20209ab-Int1aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.26158377; Eh
thumbnail.jpeg14-Nov-20209ab-Int1cEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.26731024; Eh
thumbnail.jpeg14-Nov-20209ab-Int2Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.28730302; Eh
thumbnail.jpeg14-Nov-20209ab-Int3Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.26822499; Eh
thumbnail.jpeg14-Nov-20209ab-Int5Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.29627700; Eh
thumbnail.jpeg14-Nov-20209ab-TS1a-5Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.25087812; Eh
thumbnail.jpeg14-Nov-20209ab-TS1b-3Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.24870522; Eh
thumbnail.jpeg14-Nov-20209ab-TS1c-2Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.25648322; Eh
thumbnail.jpeg14-Nov-20209ab-TS2-5Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.28489795; Eh
thumbnail.jpeg26-Apr-20179bKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+g(d); LANL2DZ-2268.14644434; Eh
thumbnail.jpeg14-Nov-20209b-Int6Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1448.58346222; Eh
thumbnail.jpeg14-Nov-20209b-Int7bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1448.59953985; Eh
thumbnail.jpeg14-Nov-20209b-TS6-7aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G* SDD GENECP-1448.57198018; Eh
thumbnail.jpeg14-Nov-20209b-TS6-7bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1448.57804943; Eh