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/m062x BenzanaldehydePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-31+G(D,P)-345.453217531; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x HemiaminalPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-31+G(D,P)-559.180059683; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x NButylaminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-31+G(D,P)-213.710110806; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x IminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-31+G(D,P)-482.766459664; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x WaterPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-31+G(D,P)-76.4034997987; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x TS2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-31+G(D,P)-559.108836365; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts A_W_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-422.002807824; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts A_N_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-559.348676122; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts N_W_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-290.220926148; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts N_N_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-427.559402434; Eh
Results 1-10 of 48 (Search time: 0.001 seconds).