descriptors/neutral_molecules

CC-BY-4.0

PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegP6-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*--158.340627138; Eh
thumbnail.jpegP3-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*--158.338597487; Eh
thumbnail.jpegP2-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*--119.054144216; Eh
thumbnail.jpegP7-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*--236.910069934; Eh
thumbnail.jpegP1-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*--79.7699232147; Eh
thumbnail.jpegP4-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*--197.623041714; Eh
thumbnail.jpegP8-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*--197.624728811; Eh
thumbnail.jpegP0-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*--40.4888420984; Eh
thumbnail.jpegP5-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*--236.907504965; Eh
Collection's Items (Sorted by in order): 1 to 9 of 9
RSS Feed RSS Feed RSS Feed

Discover

Method
Basis
Program name