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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jan-2017_1_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--1568.94098020; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_Frequencies_part1Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point Structure-D95(d); SDD-5546.14260271; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/RO/Int1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2979.57991846; 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_part8Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--5546.14258599; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Poly/Int_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3481.45762605; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/TS_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3477.85550037; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Poly/Dec_TS/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3006.24812290; Eh
thumbnail.jpeg31-Jan-2017_1_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--1298.76768272; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/TS2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2869.01907915; Eh
Results 1-10 of 618 (Search time: 0.001 seconds).