1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Mar-2025chloranocryl_CONF1_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1436.93230518; Eh
thumbnail.jpeg23-Mar-2025chloranocryl_CONF4_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1436.93293637; Eh
thumbnail.jpeg23-Mar-2025chloranocryl_CONF3_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1436.93189664; Eh
thumbnail.jpeg23-Mar-2025chloranocryl_CONF2_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1436.93249324; Eh
thumbnail.jpeg27-Mar-2025nicosulfuron_CONF74_gasPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-1760.64922593; Eh
thumbnail.jpeg27-Mar-2025nicosulfuron_CONF16_gasPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-1760.65262779; Eh
thumbnail.jpeg23-Mar-2025chloranocryl_CONF8_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1436.93231062; Eh
thumbnail.jpeg23-Mar-2025chloridazon_CONF1_gasPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-1085.60060771; Eh
thumbnail.jpeg19-Mar-2025florpyrauxifen_CONF2_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1955.60684279; Eh
thumbnail.jpeg23-Mar-2025chloranocryl_CONF4_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1436.93984163; Eh
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