Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019reactant_S_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--731.6209519; Eh
thumbnail.jpeg2-May-2019INT12_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.75125; Eh
thumbnail.jpeg2-May-2019INT3_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7381856; Eh
thumbnail.jpeg2-May-2019TS6_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7498742; Eh
thumbnail.jpeg2-May-2019TS5Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--3177.66415492; Eh
thumbnail.jpeg2-May-2019TS1noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point TSRB3LYP--2756.80455806; Eh
thumbnail.jpeg2-May-2019TS1noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2756.0187814; Eh
thumbnail.jpeg2-May-2019INT11_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7679475; Eh
thumbnail.jpeg2-May-2019INT10Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.67635251; Eh
thumbnail.jpeg2-May-2019TS6Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--3177.65375734; Eh
Results 101-110 of 110 (Search time: 0.001 seconds).