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.jpeg18-Aug-2020SiW11Fe-TS1-HSMLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUPBE1PBE6-31G(D,P) LANL2DZ GEN-4299.62079875; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-TS2-HSMLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUPBE1PBE6-31G(D,P) LANL2DZ GEN-4300.22548870; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-NHOHLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point StructureUPBE1PBE6-31G(D,P) LANL2DZ GEN-4223.89853720; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-NOLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4222.69386174; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-TS2Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point StructureUPBE1PBE6-31G(D,P) LANL2DZ GEN-4223.85102890; Eh
thumbnail.jpeg18-Aug-2020SiW11-Fe-HNOLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4223.28176909; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-S5Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4092.92154557; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-TS1Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point MinimumUPBE1PBE6-31G(D,P) LANL2DZ GEN-4223.25316285; 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
Results 1-10 of 23 (Search time: 0.003 seconds).