Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-May-2022CO-opt-benzene-nmrPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2272.752554; Eh
thumbnail.jpeg12-May-2022MeCN-opt-benzene-nmrPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2292.1614806; Eh
thumbnail.jpeg12-May-2022MeCN-opt-benzenePeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2292.16148056; Eh
thumbnail.jpeg12-May-2022py-opt-benzene-nmrPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2407.6663576; Eh
thumbnail.jpeg12-May-2022Lu-opt-benzene-nmrPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2486.2892656; Eh
thumbnail.jpeg12-May-2022Lu-opt-benzenePeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2486.28926560; Eh
thumbnail.jpeg12-May-2022py-opt-benzenePeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2407.66635757; Eh
thumbnail.jpeg12-May-2022TMS-opt-nmr-nospinPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XD6-31G(D,P) 6-31G(D) GEN-449.1393172; Eh
thumbnail.jpeg12-May-2022TMS-optPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) GEN-449.139317213; 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
Results 491-500 of 501 (Search time: 0.001 seconds).