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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Mar-2021NaFe-Toluene_TS6Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3905.25795690; Eh
thumbnail.jpeg19-Mar-2021NaFe-Toluene_TS5Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3905.26608850; Eh
thumbnail.jpeg19-Mar-2021NaFe-3HMDS-I5Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3633.77786825; Eh
thumbnail.jpeg19-Mar-2021NaFe-3HMDS-I6Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2759.92380605; Eh
thumbnail.jpeg19-Mar-2021NaFe-3HMDS-I7Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3031.43889499; Eh
thumbnail.jpeg19-Mar-2021NaFe-2TMP-partial-diss_TS11Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2247.39735997; Eh
thumbnail.jpeg19-Mar-2021NaFe-2TMP-partial-diss_TS12Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2247.40432170; Eh
thumbnail.jpeg19-Mar-2021NaFe-2TMP-partial-diss_TS7Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2247.41354196; Eh
thumbnail.jpeg19-Mar-2021NaFe-2TMP-partial-diss_TS10Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2247.40289453; Eh
thumbnail.jpeg19-Mar-2021NaFe-2TMP-partial-diss_TS9Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2247.40996664; Eh
Results 101-110 of 117 (Search time: 0.001 seconds).