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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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.jpeg31-Aug-2016t2-3Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3002.76590105; Eh
thumbnail.jpeg29-Jan-2018t_12´-8´_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3504.74124831; Eh
thumbnail.jpeg29-Jan-2018t_2´-3_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3077.71633358; Eh
thumbnail.jpeg29-Jan-2018t_3-4_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3077.72379132; Eh
thumbnail.jpeg29-Jan-2018t_4-5_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-2889.21363257; Eh
thumbnail.jpeg29-Jan-2018t_7-8Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3197.67018956; Eh
thumbnail.jpeg29-Jan-2018t_4-5Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-2735.68390449; Eh
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