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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_12_P_1_12_F_1_P_1_12_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2611.47080640; Eh
	28-Feb-2026	Se_11_P_1_11_F_P_1_11_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3167.88534456; Eh
	28-Feb-2026	Se_11_R_1_11_R_1_11_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2967.76680431; Eh
	28-Feb-2026	Se_11_R_1_11_R_1_11_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2967.76680353; Eh
	28-Feb-2026	Se_17_P_1_17_F_P_1_17_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3025.22926358; 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_17_P_1_17_F_P_1_17_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3025.25571745; Eh

Results 387601-387610 of 397899 (Search time: 0.225 seconds).