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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_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_31_P_1_31_O_P_1_31_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2977.78536952; Eh
	28-Feb-2026	Se_31_P_1_31_F_P_1_31_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3102.08762683; Eh
	28-Feb-2026	Se_31_P_1_31_F_P_1_31_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3101.84881893; Eh
	28-Feb-2026	Se_31_P_1_31_O_P_1_31_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2977.58596076; Eh
	28-Feb-2026	Se_31_P_1_31_O_P_1_31_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2977.58595551; 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_31_P_1_31_F_P_1_31_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3101.84887173; Eh
	28-Feb-2026	Se_31_R_1_31_R_1_31_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2901.80105173; Eh
	28-Feb-2026	Se_32_P_1_32_F_1_P_1_32_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2996.46395578; Eh

Results 391711-391720 of 402241 (Search time: 0.208 seconds).