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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-202627-c3NSciortino, GiuseppeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumAsymmetricI6-31G* GENECP-1649.42607295; Eh
thumbnail.jpeg23-Jul-202624-c2NSciortino, GiuseppeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumAsymmetricI6-31G* GENECP-1649.43016446; Eh
thumbnail.jpeg23-Jul-202631-TS_c3N-c4N-meta-mesityleneSciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-6-31G* GENECP-1999.32448013; Eh
thumbnail.jpeg23-Jul-202628-TS_c3N-c4N-metaSciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-6-31G* GENECP-1649.40274983; Eh
thumbnail.jpeg23-Jul-202630-TS_c3N-c4N-paraSciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-6-31G* GENECP-1649.40157271; Eh
thumbnail.jpeg23-Jul-202619-TS_c5A-c6ASciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-6-31G* GENECP-1952.97514612; Eh
thumbnail.jpeg23-Jul-202625-TSc2N-c2ASciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-6-31G* GENECP-1952.91861389; Eh
thumbnail.jpeg23-Jul-202626-TS_c2N-c3NSciortino, GiuseppeGaussian; 16; ES64L-G16RevB.01Geometry optimization TS-6-31G* GENECP-1649.41674409; Eh
thumbnail.jpeg23-Jul-202635-TS_c4A-c5ASciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Single point StructureAsymmetricIEFPCM6-31G* GENECP-1952.92743048; Eh
thumbnail.jpeg23-Jul-202635-c7NSciortino, GiuseppeGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumAsymmetricIEFPCM6-31G* GENECP-1649.44733467; Eh
Results 12891-12900 of 12919 (Search time: 0.009 seconds).