1. Barcelona Supercomputing Center

Browsing by Author Anton, Pozdeev

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Jul-2025hexa-F_Ce_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2530.94405773; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Ce_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2530.94405773; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Dy_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2535.77941038; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Dy_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2535.77941038; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Er_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2536.94426336; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Er_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2536.94426336; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Eu_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2534.01648865; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Eu_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2534.01648865; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Gd_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2534.60541303; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Gd_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2534.60541303; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Ho_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2536.36281584; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Ho_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2536.36281584; Eh
thumbnail.jpeg11-Jul-2025hexa-F_La_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2530.29387730; Eh
thumbnail.jpeg11-Jul-2025hexa-F_La_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2530.29387730; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Lu_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2538.68883488; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Lu_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2538.68883488; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Nd_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2532.20119334; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Nd_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2532.20119334; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Pm_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2532.81430907; Eh
thumbnail.jpeg11-Jul-2025hexa-F_Pm_complexAnton, PozdeevOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-SVPD; def2/JK; def2/J; def2-SVPD/C; cpcm(water)-2532.81430907; Eh
Showing results 1 to 20 of 420  next >