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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_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	Se_7_R_1_7_R_1_7_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2499.58355911; Eh
	28-Feb-2026	Si_11_P_1_11_F_1_P_1_11_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-956.73768606; Eh
	28-Feb-2026	Si_11_P_1_11_O_P_1_11_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-932.36715403; Eh
	28-Feb-2026	Si_11_P_1_11_F_P_1_11_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1056.81670093; Eh
	28-Feb-2026	Si_11_P_1_11_O_P_1_11_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-932.35503654; Eh
	28-Feb-2026	Si_11_P_1_11_F_1_P_1_11_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-956.68865161; Eh
	28-Feb-2026	Si_11_P_1_11_F_P_1_11_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1056.74716918; Eh

Results 383881-383890 of 397199 (Search time: 0.212 seconds).