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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Apr-2026/cycle/large_basis I4Jesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYPGEN-2520.432591; Eh
thumbnail.jpeg21-Apr-2026/cycle/SET/large_basis R-Br_solventJesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYP; UB3LYPGEN-3092.7607767; Eh
thumbnail.jpeg21-Apr-2026/cycle/SET/large_basis R-Br_radical_anionJesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYPGEN-3092.8278702; Eh
thumbnail.jpeg21-Apr-2026/cycle/SET R-Br_solventJesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYP; UB3LYP6-31G* SDD GEN-531.728924017; Eh
thumbnail.jpeg21-Apr-2026/cycle/SET/large_basis I4_solventJesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYP; UB3LYPGEN-2520.234137; Eh
thumbnail.jpeg21-Apr-2026/cycle/SET I4_solventJesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYP; UB3LYP6-31G* SDD GEN-1076.68134523; Eh
thumbnail.jpeg21-Apr-2026/cycle/SET R-Br_nucleiJesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYP6-31G* SDD GEN-531.730515938; Eh
thumbnail.jpeg21-Apr-2026/cycle/SET/large_basis I4_nucleiJesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYPGEN-2520.2358807; Eh
thumbnail.jpeg21-Apr-2026/cycle/SET I4_nucleiJesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYP6-31G* SDD GEN-1076.68311148; Eh
thumbnail.jpeg21-Apr-2026/cycle/SET/large_basis I5Jesus, Jover; Heras Domingo, JavierGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYPGEN-2520.2418696; Eh
Results 395651-395660 of 397032 (Search time: 0.233 seconds).