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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 75
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Jul-2018/G09/G09_P1/NO3 NO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.462693957; Eh
Login required22-Jul-2018/G09/G09_P1/UO2_NO3_2H2O UO2_NO3_2H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-1060.71341943; Eh
Login required22-Jul-2018/G09/G09_P1/H2 H2Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--1.17475627714; Eh
Login required22-Jul-2018/G09/G09_P1/Product ProductPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-2959.73691550; Eh
Login required22-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
Login required22-Jul-2018/G09/G09_P1/HNO3 HNO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.901855340; Eh
Login required22-Jul-2018/G09/G09_P1/Py PyPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--248.306049404; Eh
Login required22-Jul-2018/G09/G09_P1/Water WaterPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--76.4308447956; Eh
Login required22-Jul-2018/G09/G09_P1/Int IntPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-2961.01312432; Eh
Login required22-Jul-2018/G09/G09_P1/UO2_2NO3_2H2O UO2_2NO3_2H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-1341.24131439; Eh
Login required22-Jul-2018/G09/G09_P303/Int IntPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-2961.01312432; Eh
Login required22-Jul-2018/G09/G09_P303/UO2_2NO3_2H2O UO2_2NO3_2H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-1341.24131439; Eh
Login required22-Jul-2018/G09/G09_P303/NO3 NO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.462693957; Eh
Login required22-Jul-2018/G09/G09_P303/UO2_NO3_2H2O UO2_NO3_2H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-1060.71341943; Eh
Login required22-Jul-2018/G09/G09_P303/H2 H2Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--1.17475627714; Eh
Login required22-Jul-2018/G09/G09_P303/Product ProductPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-2959.73691550; Eh
Login required22-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
Login required22-Jul-2018/G09/G09_P303/HNO3 HNO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.901855340; Eh
Login required22-Jul-2018/G09/G09_P303/Py PyPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--248.306049404; Eh
Login required22-Jul-2018/G09/G09_P303/Water WaterPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--76.4308447956; Eh
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 75
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