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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jan-2017_2_Optimization_and_Frequencies_part2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBED95(d); SDD-5546.14639114; Eh
thumbnail.jpeg31-Jan-2017_1_Optimization_and_Frequencies_part1Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point Structure-D95(d); SDD-5546.13533497; Eh
thumbnail.jpeg31-Jan-2017_1_Optimization_and_Frequencies_part6Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point Structure---5546.14232257; Eh
thumbnail.jpeg31-Jan-2017_1_Optimization_and_Frequencies_part5Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point Structure---5546.12246115; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_Frequencies_part1Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBED95(d); SDD-5546.14639114; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_Frequencies_part3Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBED95(d); SDD-5546.14716548; Eh
thumbnail.jpeg31-Jan-2017_1constrained_OptimizationSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBED95(d); SDD-5546.13504912; Eh
thumbnail.jpeg31-Jan-2017_2constrained_OptimizationSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBED95(d); SDD-5546.07111349; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_Frequencies_part1Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point Structure-D95(d); SDD-5546.14260271; Eh
thumbnail.jpeg31-Jan-2017_1_Optimization_and_Frequencies_part7Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--5546.14258597; Eh
Results 61-70 of 174 (Search time: 0.001 seconds).