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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Apr-2017ts_8a-9aKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D--1234.63560200; Eh
thumbnail.jpeg26-Apr-2017ts_2b-3´bKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31+g(d); LANL2DZ-1971.94892191; Eh
thumbnail.jpeg26-Apr-2017ts_7b-8bKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31+g(d); LANL2DZ-2268.15969311; Eh
thumbnail.jpeg26-Apr-2017ts_2a-3´aKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31+g(d)-1455.21636131; Eh
thumbnail.jpeg26-Apr-2017ts_7a-8aKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D--1234.66895672; Eh
thumbnail.jpeg26-Apr-2017ts_3a-4aKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31+g(d)-946.177445572; Eh
thumbnail.jpeg26-Apr-2017ts_1b-2bKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31+g(d); LANL2DZ-1971.96726912; Eh
thumbnail.jpeg18-Jul-2018TS2_P0methaneBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4568.94290862; Eh
thumbnail.jpeg18-Jul-2018P2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4647.51422901; Eh
thumbnail.jpeg18-Jul-2018P6Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4686.80160107; Eh
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