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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	Se_7_P_1_7_O_P_1_7_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2576.09193261; Eh
	28-Feb-2026	Se_7_P_1_7_F_P_1_7_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2699.97541449; Eh
	28-Feb-2026	Se_7_P_1_7_F_1_P_1_7_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2599.98034813; Eh
	28-Feb-2026	Se_7_P_1_7_O_P_1_7_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2575.70637711; Eh
	28-Feb-2026	Se_7_P_1_7_F_P_1_7_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2699.97541132; Eh
	28-Feb-2026	Se_7_P_1_7_O_P_1_7_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2575.70637937; Eh
	28-Feb-2026	Se_7_R_1_7_R_1_7_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2499.58356220; Eh
	28-Feb-2026	Si_12_P_1_12_F_P_1_12_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-600.48370825; Eh
	28-Feb-2026	Si_12_P_1_12_O_P_1_12_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-476.04482445; Eh
	28-Feb-2026	Si_12_R_1_12_R_1_12_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-400.08466407; Eh

Results 387661-387670 of 397899 (Search time: 0.241 seconds).