descriptors/radical_molecules

CC-BY-4.0

PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegradicalP8_4-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--196.941573663; Eh
thumbnail.jpegrS5_1a-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--196.946762922; Eh
thumbnail.jpegrS1-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--118.377457733; Eh
thumbnail.jpegrS4-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--236.230272020; Eh
thumbnail.jpegradicalP8_5-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--196.942032075; Eh
thumbnail.jpegrS3-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--196.945815632; Eh
thumbnail.jpegrS2-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--157.661311439; Eh
thumbnail.jpegradicalP8_6-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--196.940881629; Eh
thumbnail.jpegradicalP7_1-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--236.227237274; Eh
thumbnail.jpegradicalP7_2-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--236.226606168; Eh
thumbnail.jpegradicalP4_1-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--196.940628492; Eh
thumbnail.jpegradicalP7_4-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--236.227224428; Eh
thumbnail.jpegradicalP4_2-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--196.939996404; Eh
thumbnail.jpegradicalP7_5-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--236.227224205; Eh
thumbnail.jpegradicalP7_3-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--236.227165726; Eh
thumbnail.jpegradicalP9_3-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--196.942515465; Eh
thumbnail.jpegradicalP8_3-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--196.941000086; Eh
thumbnail.jpegradicalP8_2-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--196.941367497; Eh
thumbnail.jpegradicalP3_2-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--157.655545947; Eh
thumbnail.jpegradicalP3_1-Gaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*--157.656092385; Eh
Collection's Items (Sorted by in order): 1 to 20 of 38
RSS Feed RSS Feed RSS Feed

Discover

Method
Basis
Stoichiometry
Program name
Calculation type