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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_13_P_1_13_F_P_1_13_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2750.63829755; Eh
	28-Feb-2026	Se_13_P_1_13_F_1_P_1_13_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2650.70158717; Eh
	28-Feb-2026	Se_13_P_1_13_O_P_1_13_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2626.35420681; Eh
	28-Feb-2026	Se_13_P_1_13_F_P_1_13_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2750.63836733; Eh
	28-Feb-2026	Se_13_P_1_13_F_1_P_1_13_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2650.70161466; Eh
	28-Feb-2026	Se_13_P_1_13_O_P_1_13_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2626.35193037; 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_F_1_P_1_17_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2925.31564497; Eh
	28-Feb-2026	Se_16_R_1_16_R_1_16_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2668.39550689; Eh
	28-Feb-2026	Se_17_P_1_17_F_P_1_17_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3025.25574784; Eh

Results 383771-383780 of 397199 (Search time: 0.208 seconds).