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Showing results 588 to 607 of 2491 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Dec-2025I1-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.46885976; Eh
Login required18-Dec-2025I1-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.68194769; Eh
Login required18-Dec-2025I1-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1915.08814224; Eh
Login required18-Dec-2025I1-OterminalMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1915.10566083; Eh
Login required18-Dec-2025I2-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.67316703; Eh
Login required18-Dec-2025I2-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1915.07989484; Eh
Login required18-Dec-2025I2-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.46135308; Eh
Login required18-Dec-2025I2-OterminalMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.66753459; Eh
Login required18-Dec-2025I2-OterminalMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.44743276; Eh
Login required18-Dec-2025I3-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1915.08810580; Eh
Login required18-Dec-2025I3-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.46836634; Eh
Login required18-Dec-2025I3-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.68195209; Eh
Login required18-Dec-2025I3-OterminalMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.46905461; Eh
Login required18-Dec-2025I3-OterminalMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.68466062; Eh
thumbnail.jpeg13-May-2025ibInt4N_tripletBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) GENECP-2433.97492785; Eh
thumbnail.jpeg13-May-2025ibInt4ON_ossBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) GENECP-2433.979881; Eh
thumbnail.jpeg13-May-2025ibInt4ON_tripletBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) GENECP-2433.97990162; Eh
thumbnail.jpeg13-May-2025ibInt5N_singletBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D) GENECP-2434.08096968; Eh
thumbnail.jpeg13-May-2025ibInt5O_singletBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D) GENECP-2434.08121344; Eh
thumbnail.jpeg13-May-2025ibMECP4-5_singletBesora, MariaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPLANL2DZ 6-31G(D) GENECP-2433.97278832; Eh
Showing results 588 to 607 of 2491 < previous   next >