1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Oct-2025d-TSEt_conf5McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-2079.05631216; Eh
thumbnail.jpeg21-Oct-2025d-TSEt_conf8McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-2079.05512821; Eh
thumbnail.jpeg21-Oct-2025d-TSEt_conf7McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-2079.05491702; Eh
thumbnail.jpeg21-Oct-2025d-TSEt_conf6McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-2079.05617946; Eh
thumbnail.jpeg21-Oct-2025TS3_conf17McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72047643; Eh
thumbnail.jpeg21-Oct-2025TS3_conf14McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72087638; Eh
thumbnail.jpeg21-Oct-2025TS3_conf15McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72126106; Eh
thumbnail.jpeg21-Oct-2025TS3_conf16McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.71997807; Eh
thumbnail.jpeg21-Oct-2025TS3_conf3McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1889.72308650; Eh
thumbnail.jpeg21-Oct-2025I8_dimer_conf20McGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-2961.34123442; Eh
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