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.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd WaterPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-76.4180817126; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd TS2WWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D,P)-712.094296777; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd HemiaminalPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-559.267525846; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd TS2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D,P)-559.201735176; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd NButylaminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-213.768332517; Eh
Results 1131-1135 of 1135 (Search time: 0.002 seconds).