1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jun-2025Silafluofen_CONF179_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1510.06716135; Eh
thumbnail.jpeg29-Jun-2025Silafluofen_CONF180_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1510.06774823; Eh
thumbnail.jpeg29-Jun-2025Silafluofen_CONF18_octanolAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1510.06634212; Eh
thumbnail.jpeg27-Mar-2025imazosulfuron_CONF192_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2104.52318682; Eh
thumbnail.jpeg27-Mar-2025imazosulfuron_CONF198_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2104.52461231; Eh
thumbnail.jpeg27-Mar-2025imazosulfuron_CONF197_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2104.52414343; Eh
thumbnail.jpeg27-Mar-2025imazosulfuron_CONF191_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2104.52495481; Eh
thumbnail.jpeg27-Mar-2025imazosulfuron_CONF194_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2104.52477933; Eh
thumbnail.jpeg27-Mar-2025imazosulfuron_CONF193_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2104.52466002; Eh
thumbnail.jpeg27-Mar-2025imazosulfuron_CONF199_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-2104.52437194; Eh
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