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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Sep-2020Na-I1Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1343.14374260; Eh
thumbnail.jpeg19-Mar-2021Na2-I1Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3414.59733711; Eh
thumbnail.jpeg19-Mar-2021Na2-RMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2686.37109068; Eh
thumbnail.jpeg19-Mar-2021Fe2-PMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3594.32416566; Eh
thumbnail.jpeg19-Mar-2021Fe-I1Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2598.18280926; Eh
thumbnail.jpeg19-Mar-2021Fe2-RMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3739.98626521; Eh
thumbnail.jpeg19-Mar-2021Fe-TSMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2598.15008518; Eh
thumbnail.jpeg19-Mar-2021Fe-RMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1869.96176560; Eh
thumbnail.jpeg19-Mar-2021Fe2-TSMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-4468.14096521; Eh
thumbnail.jpeg19-Mar-2021Na2-PMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2540.71005946; Eh
Results 1-10 of 118 (Search time: 0.001 seconds).