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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_21_R_1_21_R_1_21_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2746.75746910; Eh
	28-Feb-2026	Se_21_R_1_21_R_1_21_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2746.75747183; Eh
	28-Feb-2026	Se_27_P_1_27_F_P_1_27_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2864.91368674; Eh
	28-Feb-2026	Se_27_P_1_27_F_1_P_1_27_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2764.95847378; Eh
	28-Feb-2026	Se_26_R_1_26_R_1_26_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3433.21756396; Eh
	28-Feb-2026	Se_27_P_1_27_F_P_1_27_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2864.68542982; Eh
	28-Feb-2026	Se_27_P_1_27_F_1_P_1_27_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2764.73635417; Eh
	28-Feb-2026	Se_27_P_1_27_O_P_1_27_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2740.41108155; Eh
	28-Feb-2026	Se_27_P_1_27_F_P_1_27_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2864.68543990; Eh
	28-Feb-2026	Se_27_P_1_27_F_1_P_1_27_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2764.73609775; Eh

Results 387621-387630 of 397899 (Search time: 0.261 seconds).