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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Sep-2023G-eVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1635.65200886; Eh
thumbnail.jpeg22-Sep-2023G-mVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1169.78215907; Eh
thumbnail.jpeg29-Jun-2020g020101García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--6.76639487; eV
thumbnail.jpeg1-Jul-2020g020101García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--6.76639487; eV
thumbnail.jpeg29-Jun-2020g021101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--14.21954868; eV
thumbnail.jpeg30-Jun-2020g021101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--14.21954868; eV
thumbnail.jpeg22-Jul-2018/G09/G09_P1/H2 H2Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--1.17475627714; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P1/HNO3 HNO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.901855340; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P1/Int IntPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-2961.01312432; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P1/NO3 NO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.462693957; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P1/Product ProductPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-2959.73691550; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P1/Py PyPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--248.306049404; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P1/UO2_2NO3_2H2O UO2_2NO3_2H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-1341.24131439; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P1/UO2_NO3_2H2O UO2_NO3_2H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-1060.71341943; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P1/UO2_OH_NO3_H2O UO2_OH_NO3_H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-1060.29703069; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P1/Water WaterPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--76.4308447956; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/H2 H2Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--1.17475627714; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/HNO3 HNO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.901855340; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/Int IntPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-2961.01312432; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/NO3 NO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.462693957; Eh