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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required12-May-2022N2-dimer-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-4428.4128671; Eh
Login required12-May-2022PPh3-opt-benzenePeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3195.55058698; Eh
Login required12-May-2022PPh3-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-3195.550587; Eh
Login required12-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
Login required12-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
Login required12-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
Login required12-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
Login required12-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
Login required12-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
Login required12-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
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