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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Jun-2018cluster-B3LYP-4Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPSDD; 6-31G**; 6-31+G*-3839.93524076; Eh
thumbnail.jpeg27-Jun-2018cluster-B3LYP-2Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPSDD; 6-31G**; 6-31+G*-3839.91208792; Eh
thumbnail.jpeg21-Jul-2020TAMOFJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPDEF2SVP-10000.0130099; Eh
thumbnail.jpeg21-Jul-2020Styrene_oxideJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPDEF2SVP-384.589922332; Eh
thumbnail.jpeg21-Jul-2020LL2_productJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUB3LYPDEF2SVP-1056.70133348; Eh
thumbnail.jpeg21-Jul-2020LL1_productJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUB3LYPDEF2SVP-1056.70105418; Eh
thumbnail.jpeg21-Jul-2020RB1_productJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUB3LYPDEF2SVP-672.053913185; Eh
thumbnail.jpeg21-Jul-2020RL1_productJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUB3LYPDEF2SVP-672.062139633; Eh
thumbnail.jpeg21-Jul-2020AcetonitrileJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPDEF2SVP-132.665080875; Eh
thumbnail.jpeg21-Jul-2020AnilineJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPDEF2SVP-287.421518073; Eh
Results 1-10 of 70 (Search time: 0.001 seconds).