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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Aug-2022/reaction_profile NaCo_TS-fix-ts-disp-bbMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3655.40224748; Eh
thumbnail.jpeg6-Aug-2022/products CoNa2-prod-FH1-4transMu, MantingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3447.72439196; Eh
thumbnail.jpeg6-Aug-2022/products CoNa2-prod-noBenbb-reBen2-tight-disp-F-reoptMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN-3844.59621195; Eh
thumbnail.jpeg6-Aug-2022/reaction_profile NaCo-Cobaltallation-New-ts-dispFMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3655.39310853; Eh
thumbnail.jpeg6-Aug-2022/reaction_profile NaCo-Cobaltallation-New-ts-dispBMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3655.44887734; Eh
Results 61-65 of 65 (Search time: 0.001 seconds).