1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Aug-2024SP_tsc120cn_2c_dissockcn2_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-5957.4898157; Eh
thumbnail.jpeg28-Aug-2024SP_tsc120cn_2c_dissockcn4_nrs_higherepsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311+G(D,P)-
thumbnail.jpeg29-Jul-2024SP_SM8García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-232.5122357; Eh
thumbnail.jpeg29-Jul-2024SP_SM7García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-157.2816278; Eh
thumbnail.jpeg28-Aug-2024SP_tsc120cn_2c_dissockcn4_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311+G(D,P)-
thumbnail.jpeg29-Jul-2024SP_SM6García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-349.0719564; Eh
thumbnail.jpeg29-Jul-2024SP_SM5García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-309.7429062; Eh
thumbnail.jpeg28-Aug-2024SP_nacn_9García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-2296.7255681; Eh
thumbnail.jpeg28-Aug-2024SP_nacn_anGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-348.144622; Eh
thumbnail.jpeg28-Aug-2024SP_nacn_4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-1020.7560385; Eh
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