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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Oct-2021tfmvs_9BBN_mJover Modrego, JesúsGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-1152.93333353; Eh
thumbnail.jpeg1-Oct-2021tfmvsCOO_amJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP DEF2SVP GEN-1023.54063123; Eh
thumbnail.jpeg1-Oct-2021tfmvsCOO_mJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP DEF2SVP GEN-1023.54203523; Eh
thumbnail.jpeg1-Oct-2021tfmvsJover Modrego, JesúsGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-814.007258548; Eh
thumbnail.jpeg1-Oct-2021TS1_am_tfmvsJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-4054.03807474; Eh
thumbnail.jpeg1-Oct-2021TS1_am_hfibJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3993.01571382; Eh
thumbnail.jpeg1-Oct-2021TS1_pCF3styrJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYPTZVP-3886.96752660; Eh
thumbnail.jpeg1-Oct-2021TS1_m_tfmvsJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRB3LYPTZVP-4054.02527728; Eh
thumbnail.jpeg1-Oct-2021TS1_atfmsJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRB3LYPTZVP-4093.36190813; Eh
thumbnail.jpeg1-Oct-2021TS1_CyJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRB3LYPTZVP-3474.74424220; Eh
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