1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Oct-2025TS3_conf8McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72177454; Eh
thumbnail.jpeg21-Oct-2025TS3_conf11McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72243884; Eh
thumbnail.jpeg21-Oct-2025TS3_conf12McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72045024; Eh
thumbnail.jpeg21-Oct-2025TS3_conf13McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72173423; Eh
thumbnail.jpeg21-Oct-2025TS3_conf10McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72224213; Eh
thumbnail.jpeg21-Oct-2025TS3_conf6McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72407577; Eh
thumbnail.jpeg21-Oct-2025TS3_conf4McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72324937; Eh
thumbnail.jpeg21-Oct-2025TS3_conf2McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72186828; Eh
thumbnail.jpeg21-Oct-2025TS3_conf5McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72351336; Eh
thumbnail.jpeg21-Oct-2025TS3_conf7McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72407571; Eh
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