1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required28-Aug-2024SP_fl_cat_MeButaGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-771.1984197; Eh
Login required28-Aug-2024SP_obn_rad_PMMAGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(D,P)-385.5457777; Eh
Login required28-Aug-2024SP_flobn_meohGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1272.8088914; Eh
Login required28-Aug-2024fl_cat_PMMAGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D)-771.020340351; Eh
Login required28-Aug-2024SP_obn_anGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-385.7107601; Eh
Login required28-Aug-2024fl_catGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D)-771.033001129; Eh
Login required28-Aug-2024SP_ar3no2obn_meoh_MeButaGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1683.1433136; Eh
Login required28-Aug-2024SP_flno2obn_meoh_MeButaGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1681.945825; Eh
Login required28-Aug-2024SP_obn_an_m2_MeButaGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-617.2860991; Eh
Login required28-Aug-2024SP_flcnoac_MeButaGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1131.5501861; Eh
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