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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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.jpeg29-Feb-2016FCa-cis-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2464.25989930; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/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_P303/Int IntPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-2961.01312432; 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_P303/NO3 NO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.462693957; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Profiles/M062X/Adducts W_W_M062XPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XCC-PVTZ-152.872875832; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n2-i2-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1259.87028264; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/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_P303/Product ProductPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-2959.73691550; Eh
Results 2211-2220 of 104079 (Search time: 0.004 seconds).