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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2018TolueneBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d)-271.558127933; Eh
thumbnail.jpeg30-Aug-2018VIII_singletBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d); sdd-1386.13884354; Eh
thumbnail.jpeg30-Aug-2018I3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d); sdd-828.167872685; Eh
thumbnail.jpeg30-Aug-2018benzylalcoholBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d)-346.771318955; Eh
thumbnail.jpeg30-Aug-2018IIBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d); sdd-1147.60619471; Eh
thumbnail.jpeg30-Aug-2018N2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d)-109.523780034; Eh
thumbnail.jpeg30-Aug-2018newTSsqplanarNO2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d); sdd-1352.11863773; Eh
thumbnail.jpeg30-Aug-2018III_singletBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d); sdd-1038.07780368; Eh
thumbnail.jpeg30-Aug-2018nitrophenylazideBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d)-600.388598025; Eh
thumbnail.jpeg30-Aug-2018I2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d); sdd-616.970565543; Eh
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