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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jul-2018/G09/G09_P303/Water WaterPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--76.4308447956; 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/Py PyPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--248.306049404; 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_P1/Water WaterPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--76.4308447956; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P1/NO3 NO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.462693957; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_OH_NO3_xH2O/UO2_3H2O UO2_3H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GEN-1213.1784172; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_2OH_xH2O/UO2_H2O UO2_H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GEN-855.799503896; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_H2Ox/UO2_5H2O UO2_5H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GEN-1009.53145877; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_OH_xH2O/UO2_4H2O UO2_4H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GEN-1009.12465216; Eh
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