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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-202604-TS_c0-c1Sciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-6-31G* GENECP-1296.09601693; Eh
thumbnail.jpeg23-Jul-202617-TS_c4A-c5ASciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumAsymmetricI6-31G* GENECP-1952.97526888; Eh
thumbnail.jpeg23-Jul-202615-TS_c3A-c4ASciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Single point StructureAsymmetricIEFPCM6-31G* GENECP-1952.91800317; Eh
thumbnail.jpeg23-Jul-202621-TS_c6A-c0Sciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Single point StructureAsymmetricIEFPCM6-31G* GENECP-2248.54415354; Eh
thumbnail.jpeg23-Jul-202618-c5ASciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumAsymmetricIEFPCM6-31G* GENECP-1953.00062356; Eh
thumbnail.jpeg23-Jul-202616-c4ASciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumAsymmetricIEFPCM6-31G* GENECP-1952.94704539; Eh
thumbnail.jpeg23-Jul-202614-c3ASciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumAsymmetricI6-31G* GENECP-1952.95789166; Eh
thumbnail.jpeg23-Jul-202620-c6ASciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Single point StructureAsymmetricIEFPCM6-31G* GENECP-1668.78153540; Eh
thumbnail.jpeg23-Jul-202622-prod-3Sciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumAsymmetricIEFPCM6-31G* GEN-952.430259969; Eh
thumbnail.jpeg23-Jul-202629-TS_c3N-c4N-orthoSciortino, GiuseppeGaussian; 16; ES64L-G16RevA.03Single point StructureAsymmetricIEFPCM6-31G* GENECP-1649.40384148; Eh
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