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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Oct-2021Cu_F_9BBN_atfmsJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYPTZVP-4093.39086101; Eh
thumbnail.jpeg1-Oct-2021Cu_F_9BBN_CyJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3474.78358033; Eh
thumbnail.jpeg1-Oct-2021Cu_atfms_CO2Jover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYPTZVP-3843.79426857; Eh
thumbnail.jpeg1-Oct-2021Cu_Cy_CO2Jover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3225.18291423; Eh
thumbnail.jpeg1-Oct-2021Cu_atfmsJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3655.12450839; Eh
thumbnail.jpeg1-Oct-2021Cu_CyJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3036.51279269; Eh
thumbnail.jpeg1-Oct-2021CsIJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPDEF2SVP GEN-318.070699973; Eh
thumbnail.jpeg1-Oct-2021Cu_F_9BBN_pCF3styrJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3886.99348969; Eh
thumbnail.jpeg1-Oct-2021Cu_F_9BBN_tfmvs_amJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-4054.06521641; Eh
thumbnail.jpeg1-Oct-2021Cu_F_9BBN_tfmvs_mJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-4054.06462884; Eh
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