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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Oct-2021TS1_m_tfmvsJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRB3LYPTZVP-4054.02527728; Eh
thumbnail.jpeg1-Oct-2021TS2_C_CyJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRB3LYPTZVP-3225.15846258; Eh
thumbnail.jpeg1-Oct-2021TS1_tfmbJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRB3LYPTZVP-3695.16515075; Eh
thumbnail.jpeg1-Oct-2021TS1_CyJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRB3LYPTZVP-3474.74424220; Eh
thumbnail.jpeg1-Oct-2021TS2_C_pCF3styrJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRB3LYPTZVP-3637.37530747; Eh
thumbnail.jpeg21-Jul-2020TS1-B-uncatJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUB3LYPDEF2SVP-671.973765831; Eh
thumbnail.jpeg21-Jul-2020TS1-L-uncatJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUB3LYPDEF2SVP-671.977170529; Eh
thumbnail.jpeg21-Jul-2020TS2-RL1-R-uncatJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPDEF2SVP-1056.61418431; Eh
thumbnail.jpeg21-Jul-2020TS2-RL1-S-uncatJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPDEF2SVP-1056.61794407; Eh
thumbnail.jpeg21-Jul-2020TS2-SL1-R-uncatJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPDEF2SVP-1056.61898925; Eh
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