Search        

Current filters:
Add filters:

Use filters to refine the search results.

  • previous
  • 1
  • next
Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 NButylaminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31+G(D,P)-213.832127461; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 WaterPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31+G(D,P)-76.4423603809; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 TS2WWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31+G(D,P)-712.349961658; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 IminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31+G(D,P)-483.006284106; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 BenzanaldehydePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31+G(D,P)-345.612329564; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 TS2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31+G(D,P)-559.400741773; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 HemiaminalPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31+G(D,P)-559.454204421; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 TS2NPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31+G(D,P)-773.268573137; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 TS2NWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31+G(D,P)-849.735937626; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 TS2WPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31+G(D,P)-635.881560308; Eh
Results 1-10 of 10 (Search time: 0.001 seconds).

Discover