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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Mar-2021DCM_INTDiazoBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2421.82507113; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3kBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-1750.15031945; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sih3-rhh2o5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-783.471874829; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xerush4_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-1705.71593676; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xeZrCl5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-2364.03736071; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes oZrCl5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-2423.54781808; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenohgi2_newfix2freqBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-729.482704121; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xenbnh24_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-296.240554044; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xezncl3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-1623.54111369; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes heZrCl5_newfix3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-2351.42051291; Eh
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