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_flcnoac_PMMAGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1131.5486112; Eh
Login required28-Aug-2024SP_flno2_catGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1180.3297595; Eh
Login required28-Aug-2024SP_flno2obnGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1566.1649386; Eh
Login required28-Aug-2024SP_ar3m2obn_meoh_MePropGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1847.390683; Eh
Login required28-Aug-2024SP_ar3m2obn_meoh_PMMAGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1847.3881199; Eh
Login required28-Aug-2024SP_ar3m2_rad_MeButaGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(D,P)-1345.9697248; Eh
Login required28-Aug-2024SP_ar3m2_rad_MePropGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(D,P)-1345.9700555; Eh
Login required28-Aug-2024SP_ar3m2obn_MePropGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1731.6045676; Eh
Login required28-Aug-2024SP_ar3m2_rad_PMMAGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(D,P)-1345.968185; Eh
Login required28-Aug-2024SP_ar3m2obn_PMMAGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P)-1731.6021951; Eh
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