1. Universitat Rovira i Virgili

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Dec-2025mo6-h2o-OterminalMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1915.10565883; Eh
Login required18-Dec-2025mo6-o17-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1915.10774451; Eh
Login required18-Dec-2025mo6-h2o-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.49228402; Eh
Login required18-Dec-2025I1-OterminalMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1915.10566083; Eh
Login required18-Dec-2025I3-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP GEN-1991.46836634; Eh
Login required18-Dec-2025TS2-OterminalMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP GEN-1991.63201482; Eh
Login required18-Dec-2025TS1-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP GEN-1991.67204098; Eh
Login required18-Dec-2025TS2-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP GEN-1915.07951163; Eh
Login required18-Dec-2025TS2-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP GEN-1991.45938857; Eh
Login required18-Dec-2025mo6-o17-ObridgeMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP GEN-1991.49023165; Eh
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