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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_27_P_1_27_O_P_1_27_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2740.41102096; Eh
	28-Feb-2026	Se_27_R_1_27_R_1_27_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2664.57830758; Eh
	28-Feb-2026	Se_27_R_1_27_R_1_27_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2664.57816672; Eh
	28-Feb-2026	Se_38_P_1_38_F_P_1_38_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3099.76248041; Eh
	28-Feb-2026	Se_38_P_1_38_F_1_P_1_38_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2999.81640102; Eh
	28-Feb-2026	Se_37_R_1_37_R_1_37_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3241.45279333; Eh
	28-Feb-2026	Se_38_P_1_38_F_P_1_38_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3099.42299583; Eh
	28-Feb-2026	Se_38_P_1_38_F_1_P_1_38_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2999.48618913; Eh
	28-Feb-2026	Se_38_P_1_38_O_P_1_38_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2975.14096065; Eh
	28-Feb-2026	Se_38_P_1_38_F_P_1_38_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3099.42261360; Eh

Results 390421-390430 of 402373 (Search time: 0.212 seconds).