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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Oct-2021Cu_tfmvs_mJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3615.80846765; Eh
thumbnail.jpeg1-Oct-2021Cy_9BBNJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-573.656326268; Eh
thumbnail.jpeg1-Oct-2021F_9BBNJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-438.229385723; Eh
thumbnail.jpeg1-Oct-2021cyclohexeneJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-234.744003538; Eh
thumbnail.jpeg1-Oct-2021hfib_9BBN_amJover Modrego, JesúsGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-1091.91339643; Eh
thumbnail.jpeg1-Oct-2021H_9BBN_dimerJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-677.780136551; Eh
thumbnail.jpeg1-Oct-2021hfib_9BBN_mJover Modrego, JesúsGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-1091.90959245; Eh
thumbnail.jpeg1-Oct-2021hfibCOO_Cs_amJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP DEF2SVP GEN-962.523348290; Eh
thumbnail.jpeg1-Oct-2021hfibCOO_Cs_mJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP DEF2SVP GEN-962.517368061; Eh
thumbnail.jpeg1-Oct-2021pCF3styrCOO_CsJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP DEF2SVP GEN-856.475482808; Eh
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