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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Apr-2026(R)-TS1-SArenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDLANL2DZ 6-31G(D,P) GENECP-3268.46076712; Eh
thumbnail.jpeg8-Apr-2026(R)-I3Arenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-3268.47648893; Eh
thumbnail.jpeg8-Apr-2026(R)-I5Arenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-3268.53214839; Eh
thumbnail.jpeg8-Apr-2026(R)-I4Arenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-3268.52379699; Eh
thumbnail.jpeg8-Apr-2026(R)-TS1-RArenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-3268.46283818; Eh
thumbnail.jpeg8-Apr-2026(R)-I6Arenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-3268.52675610; Eh
thumbnail.jpeg8-Apr-2026(R,R)-2aArenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1490.43187936; Eh
thumbnail.jpeg8-Apr-2026(R)-I7Arenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1507.21922299; Eh
thumbnail.jpeg8-Apr-2026I2Arenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-2200.62897088; Eh
thumbnail.jpeg8-Apr-2026(R)-1aArenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-1067.80733372; Eh
Results 2811-2820 of 2835 (Search time: 0.001 seconds).