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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Sep-2021I2-Pd0-ArF-SnPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2907.58838536; Eh
Login required8-Sep-2021I2-Pd-ArF-SnPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2907.62516577; Eh
Login required8-Sep-2021I1-Pd0-Alk-SnPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1766.96475872; Eh
Login required8-Sep-2021Pd-ArF-IPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-2795.94585133; Eh
Login required8-Sep-2021Pd-SnMe3-IPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1470.71852850; Eh
Login required8-Sep-2021Pd-Alk-SnPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1766.97108259; Eh
Login required8-Sep-2021Pd-Alk-IPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1655.28821383; Eh
Login required8-Sep-2021Alk_SnMe3Peñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) GEN-430.812086091; Eh
Login required8-Sep-2021ArF_IPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31+G(D) 6-31G(D) GEN-1459.73346962; Eh
Login required8-Sep-2021TS2-Pd-ArF-SnPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-2907.58827786; Eh
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