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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_14_P_1_14_O_P_1_14_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2665.57822777; Eh
	28-Feb-2026	Se_14_P_1_14_O_P_1_14_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2665.57823234; Eh
	28-Feb-2026	Se_14_R_1_14_R_1_14_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2589.77760980; Eh
	28-Feb-2026	Se_14_R_1_14_R_1_14_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2589.77754415; Eh
	28-Feb-2026	Se_18_P_1_18_F_1_P_1_18_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3082.02194808; Eh
	28-Feb-2026	Se_17_P_1_17_O_P_1_17_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2900.91258045; Eh
	28-Feb-2026	Se_17_R_1_17_R_1_17_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2825.18852785; Eh
	28-Feb-2026	Se_18_P_1_18_F_1_P_1_18_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3082.25450347; Eh
	28-Feb-2026	Se_17_P_1_17_O_P_1_17_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2900.98221683; Eh
	28-Feb-2026	Se_18_P_1_18_F_1_P_1_18_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3082.25439042; Eh

Results 385121-385130 of 397032 (Search time: 0.227 seconds).