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.jpeg12-Nov-2019H6PtW6O24(3e_3H-Pt)Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27899309; Eh
thumbnail.jpeg12-Nov-2019H6PtW6O24(4e_4H-Pt)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.82414427; Eh
thumbnail.jpeg12-Nov-2019H6PtW6O24(3e_3H-O)Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27501553; Eh
thumbnail.jpeg12-Nov-2019H6PtW6O24(2e_2H)-H2Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2336.64659385; Eh
thumbnail.jpeg12-Nov-2019H6PtW6O24(2e_2H)Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2336.73112094; Eh
thumbnail.jpeg12-Nov-2019TS-4e-4HLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.81787444; Eh
thumbnail.jpeg12-Nov-2019TS-3e-3HLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.21884799; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-NH2-H2OLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4225.16063215; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-NH2OHLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4270.37610380; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-NH2OHLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4224.53789801; Eh
Results 11-20 of 67 (Search time: 0.001 seconds).

Discover

Method