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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Mar-2018/Fragments-Freq H4C4_q0_m3-19Alcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Single point TSUB3LYP--154.723602681; Eh
thumbnail.jpeg11-Mar-2018/Fragments-Freq CO_q0_m1-2Alcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Single point TSRB3LYP--113.349050281; Eh
thumbnail.jpeg11-Mar-2018/Fragments-Freq C2_q0_m1-3Alcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Single point TSRB3LYP--75.9015852566; Eh
thumbnail.jpeg11-Mar-2018/Fragments-Freq H_q0_m2-2Alcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Single point TSUB3LYP--0.502256981542; Eh
thumbnail.jpeg11-Mar-2018/Fragments-Freq C_q0_m1-2Alcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Single point TSRB3LYP--37.7919103024; Eh
thumbnail.jpeg11-Mar-2018/Fragments-Freq C4H4O_q0_m1-14Alcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Single point TSRB3LYP--230.013941604; Eh
thumbnail.jpeg11-Mar-2018/Fragments-Freq C4H4O_q0_m1-8Alcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Single point TSRB3LYP--230.052234101; Eh
thumbnail.jpeg11-Mar-2018/Fragments-Freq H3C4_q0_m2-5Alcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Single point TSUB3LYP--154.093050430; Eh
thumbnail.jpeg11-Mar-2018/Fragments-Freq H3C4_q0_m4-2Alcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Single point TSUB3LYP--154.030116340; Eh
thumbnail.jpeg11-Mar-2018/Fragments-Freq H4C4_q0_m3-14Alcami Pertejo, ManuelGaussian; 09; ES64L-G09RevD.01Single point TSUB3LYP--154.677092102; Eh
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