1. Barcelona Supercomputing Center

Browsing by Author Lang, Zhongling

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Showing results 21 to 40 of 78 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Nov-2019H6PtW6O24Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2335.47766122; Eh
thumbnail.jpeg29-Oct-2019H6PtW6O24(1e_1H)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2336.10393073; Eh
thumbnail.jpeg12-Nov-2019H6PtW6O24(1e_1H)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2336.10393073; Eh
thumbnail.jpeg29-Oct-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-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-2019H6PtW6O24(2e_2H)-H2Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2336.64659385; Eh
thumbnail.jpeg29-Oct-2019H6PtW6O24(3e_3H)-OLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27907128; Eh
thumbnail.jpeg1-Nov-2019H6PtW6O24(3e_3H)-OLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27501553; Eh
thumbnail.jpeg29-Oct-2019H6PtW6O24(3e_3H)-PtLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27899309; 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(3e_3H-Pt)Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27899309; Eh
thumbnail.jpeg1-Nov-2019H6PtW6O24(4e_4H)-OLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.81974956; Eh
thumbnail.jpeg1-Nov-2019H6PtW6O24(4e_4H)-PtLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.82414427; Eh
thumbnail.jpeg12-Nov-2019H6PtW6O24(4e_4H-O)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.81974956; 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.jpeg29-Oct-2019IRC-forward-TS-H6PtW6O24(4e_4H)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31G(D) 6-31G(D,P) LANL2DZ-2337.84706623; Eh
thumbnail.jpeg29-Oct-2019IRC-reverse-TS-H6PtW6O24(4e_4H)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31G(D) 6-31G(D,P) LANL2DZ-2337.84207751; Eh
thumbnail.jpeg12-Nov-2019IRC-TS-3e_3HLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31G(D) 6-31G(D,P) LANL2DZ-2337.25490668; Eh
thumbnail.jpeg1-Nov-2019IRC-TS-H6PtW6O24-3e_3HLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31G(D) 6-31G(D,P) LANL2DZ-2337.25490668; Eh
thumbnail.jpeg12-Nov-2019IRC_TS-4e_4H-forwardLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Single point Structure-6-31G(D) 6-31G(D,P) LANL2DZ-2337.84706623; Eh
Showing results 21 to 40 of 78 < previous   next >