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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_6_P_1_6_F_P_1_6_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-950.72034079; Eh
	28-Feb-2026	Si_6_P_1_6_O_P_1_6_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-826.27666006; Eh
	28-Feb-2026	Si_6_R_1_6_R_1_6_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-750.45152816; Eh
	28-Feb-2026	Si_6_P_1_6_O_P_1_6_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-826.50106833; Eh
	28-Feb-2026	Si_6_P_1_6_F_P_1_6_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-950.88915246; Eh
	28-Feb-2026	Si_6_P_1_6_O_P_1_6_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-826.50106999; Eh
	28-Feb-2026	Si_7_P_1_7_F_1_P_1_7_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-488.79586789; Eh
	28-Feb-2026	Si_6_R_1_6_R_1_6_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-750.65002646; Eh
	28-Feb-2026	Si_6_R_1_6_R_1_6_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-750.65002694; Eh
	28-Feb-2026	P2_OIA_2_OIA2_CF3SO2_anion_reagent_gas_CF3O2S_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-885.15461383647084; Eh

Results 387731-387740 of 397899 (Search time: 0.22 seconds).