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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_28_R_1_28_R_1_28_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2862.49208552; Eh
	28-Feb-2026	Se_28_R_1_28_R_1_28_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2862.49218551; Eh
	28-Feb-2026	Se_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	-3002.13225621; Eh
	28-Feb-2026	Se_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	-2779.76196260; Eh
	28-Feb-2026	Se_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	-2704.04593581; Eh
	28-Feb-2026	Se_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	-	-3001.90047659; Eh
	28-Feb-2026	Se_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	-	-3001.90051503; Eh
	28-Feb-2026	Se_30_P_1_30_O_P_1_30_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2779.62167447; Eh
	28-Feb-2026	Se_30_P_1_30_O_P_1_30_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2779.62169356; Eh
	28-Feb-2026	Se_30_R_1_30_R_1_30_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2703.88688879; Eh

Results 384491-384500 of 397199 (Search time: 0.233 seconds).