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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Feb-2026Si_10_P_1_10_F_P_1_10_F_sp_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASESingle pointDFTdef2-QZVPP; def2-QZVPP/C; def2/J-819.51549163; Eh
thumbnail.jpeg28-Feb-2026Si_10_P_1_10_O_P_1_10_O_sp_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASESingle pointDFTdef2-QZVPP; def2-QZVPP/C; def2/J-695.06722264; Eh
thumbnail.jpeg28-Feb-2026Si_10_P_1_10_F_P_1_10_F_hess_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASESingle point MinimumDFT--819.46424940; Eh
thumbnail.jpeg28-Feb-2026Si_10_P_1_10_F_1_P_1_10_F_1_opt_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASEGeometry optimizationDFT--719.40572480; Eh
thumbnail.jpeg28-Feb-2026Si_10_P_1_10_O_P_1_10_O_hess_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASESingle point MinimumDFT--695.07385936; Eh
thumbnail.jpeg28-Feb-2026Si_10_P_1_10_F_P_1_10_F_opt_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASEGeometry optimizationDFT--819.46410775; Eh
thumbnail.jpeg28-Feb-2026Si_10_P_1_10_O_P_1_10_O_opt_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASEGeometry optimizationDFT--695.07384229; Eh
thumbnail.jpeg28-Feb-2026Si_10_R_1_10_R_1_10_hess_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASESingle point MinimumDFT--619.09185710; Eh
thumbnail.jpeg28-Feb-2026Si_14_P_1_14_F_P_1_14_F_sp_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASESingle pointDFTdef2-QZVPP; def2-QZVPP/C; def2/J-678.82754219; Eh
thumbnail.jpeg28-Feb-2026Si_14_P_1_14_F_1_P_1_14_F_1_sp_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASESingle pointDFTdef2-QZVPP; def2-QZVPP/C; def2/J-578.79233191; Eh
Results 391101-391110 of 402241 (Search time: 0.199 seconds).