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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	Si_26_P_1_26_O_P_1_26_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1398.10985961; Eh
	28-Feb-2026	Si_26_R_1_26_R_1_26_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1322.32721395; Eh
	28-Feb-2026	Si_26_R_1_26_R_1_26_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1322.32697991; Eh
	28-Feb-2026	Si_31_P_1_31_F_1_P_1_31_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-890.71502865; Eh
	28-Feb-2026	Si_30_P_1_30_O_P_1_30_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-668.36559492; Eh
	28-Feb-2026	Si_30_R_1_30_R_1_30_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-592.53531079; Eh
	28-Feb-2026	Si_31_P_1_31_F_1_P_1_31_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-890.69418934; Eh
	28-Feb-2026	Si_31_P_1_31_F_P_1_31_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-990.76479009; Eh
	28-Feb-2026	Si_31_P_1_31_F_1_P_1_31_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-890.69427962; Eh
	28-Feb-2026	Si_30_P_1_30_O_P_1_30_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-668.43498541; Eh

Results 387701-387710 of 397899 (Search time: 0.222 seconds).