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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Mar-2021NaFe-Dioxane_TS4Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3941.36454321; Eh
thumbnail.jpeg19-Mar-2021NaFe-Dioxane_TS3Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3941.37399400; Eh
thumbnail.jpeg19-Mar-2021NaFe-brTMP-tTMPMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2247.50058401; Eh
thumbnail.jpeg19-Mar-2021NaFe-2brTMPMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2247.48582648; Eh
thumbnail.jpeg19-Mar-2021NaFe-brTMPMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2712.29683707; Eh
thumbnail.jpeg19-Mar-2021NaFe-tTMPMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2712.29739579; Eh
thumbnail.jpeg19-Mar-2021NaFe-3TMPMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1782.69298098; Eh
thumbnail.jpeg19-Mar-2021Fe-2TMPMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-940.368481810; Eh
thumbnail.jpeg19-Mar-2021NaFe-2TMP-partial-diss_TS1Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2247.43850674; Eh
thumbnail.jpeg19-Mar-2021NaFe-1TMP-partial-diss_TS3Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2712.19370946; Eh
Results 51-60 of 117 (Search time: 0.002 seconds).