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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Sep-20181_ONIOM_UFFFunes-Ardoiz, IgnacioGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumONIOM; wB97XD; UFFLANL2DZ; 6-31G*-1350.86512279; Eh
thumbnail.jpeg6-Sep-2018Al3+-AB-peptide_AMBER98SBFunes-Ardoiz, IgnacioGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumONIOM; B3LYP; --mm--1083.14180437; Eh
thumbnail.jpeg6-Sep-2018Al3+-AB-peptide_CHARMM22Funes-Ardoiz, IgnacioGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumONIOM; B3LYP; --mm--1083.15553393; Eh
Login required1-Apr-2022i0-cSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) GENECP-1424.50766736; Eh
Login required1-Apr-2022ISanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPGENECP-11.5715753029; Eh
Login required1-Apr-2022i13-hom2aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) GENECP-1902.99151145; Eh
Login required1-Apr-2022i2x-1aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) GENECP-986.511922484; Eh
Login required1-Apr-2022i3-2aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) GENECP-1504.95422952; Eh
Login required1-Apr-2022i12Sanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) GENECP-1083.85405820; Eh
Login required1-Apr-2022dmbpySanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GENECP-574.041208723; Eh
Results 171-180 of 250 (Search time: 0.002 seconds).