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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Oct-2021Cu_OCO_pCF3styrJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3637.43359345; Eh
thumbnail.jpeg1-Oct-2021Cu_I_IPrJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP DEF2SVP GEN-3099.03313622; Eh
thumbnail.jpeg1-Oct-2021Cu_OCOhfib_amJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3743.47989442; Eh
thumbnail.jpeg1-Oct-2021Cu_OCOhfib_mJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3743.47109057; Eh
thumbnail.jpeg1-Oct-2021Cu_OCOatfmsJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3843.82695350; Eh
thumbnail.jpeg1-Oct-2021Cu_OCOtfmbJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3445.63236856; Eh
thumbnail.jpeg1-Oct-2021Cu_hfib_mJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3554.80322469; Eh
thumbnail.jpeg1-Oct-2021Cu_OCOCyJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3225.22513042; Eh
thumbnail.jpeg1-Oct-2021TS_SN2_pCF3styrJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRB3LYPTZVP-3637.37328846; Eh
thumbnail.jpeg1-Oct-2021tfmvsJover Modrego, JesúsGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-814.007258548; Eh
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