1. Barcelona Supercomputing Center

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Collection hits:
Collection Name
NaTMP_borylation_heterocycles
Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Aug-2025I2_Na_PMDETA_bthp_TMPHMcGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1798.26116819; Eh
thumbnail.jpeg11-Aug-2025LiI4_Li_PMDETA_bthp_NBNMcGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1880.40887074; Eh
thumbnail.jpeg11-Aug-2025cat_dimer_Na_PMDETA_bthpMcGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-2778.37440357; Eh
thumbnail.jpeg11-Aug-2025prod_bthp_NBNHMcGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1352.49775688; Eh
thumbnail.jpeg11-Aug-2025LiI3_Li_PMDETA_bthp_NBNMcGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1880.36561879; Eh
thumbnail.jpeg11-Aug-2025LiTS3_Li_PMDETA_bthp_NBN_H_bthpMcGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-2586.92035668; Eh
thumbnail.jpeg11-Aug-2025TS2b_Na_PMDETA_bthp_NBNTMP_coordinatedMcGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-2035.08307824; Eh
thumbnail.jpeg11-Aug-2025TS2d_dimer_Na_PMDETA_bthp_NBNMcGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-3424.28837665; Eh
thumbnail.jpeg11-Aug-2025TS2c_Na_PMDETA_armout_bthp_NBNMcGinley, AnaGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1737.60607664; Eh
Results 395461-395470 of 397032 (Search time: 0.239 seconds).

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