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_obn_an_MeButaGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-385.6944688; 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_obn_an_PMMAGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-385.6860308; Eh
Login required28-Aug-2024SP_obn_radGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(D,P)-385.5481546; Eh
Login required28-Aug-2024SP_flno2cnoac_MeButaGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1540.6894229; Eh
Login required28-Aug-2024SP_flno2_cat_MeButaGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1180.3162655; Eh
Login required28-Aug-2024SP_flno2cnoac_PMMAGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1540.6869685; Eh
Login required28-Aug-2024SP_flno2_cat_PMMAGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1180.309293; Eh
Login required28-Aug-2024SP_flcnoac_MeButaGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1131.5501861; Eh
Login required28-Aug-2024SP_flno2cnoacGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1540.6946456; Eh
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