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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_22_P_1_22_F_P_1_22_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3025.23373957; Eh
	28-Feb-2026	Se_22_P_1_22_O_P_1_22_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2900.96231527; Eh
	28-Feb-2026	Se_22_R_1_22_R_1_22_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2825.22862783; Eh
	28-Feb-2026	Se_22_R_1_22_R_1_22_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2825.22857613; Eh
	28-Feb-2026	Se_28_P_1_28_F_1_P_1_28_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2962.94738011; Eh
	28-Feb-2026	Se_27_P_1_27_O_P_1_27_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2740.59405028; Eh
	28-Feb-2026	Se_27_R_1_27_R_1_27_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2664.78580609; Eh
	28-Feb-2026	Se_28_P_1_28_F_1_P_1_28_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2962.66863617; Eh
	28-Feb-2026	Se_28_P_1_28_F_P_1_28_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3062.63797065; Eh
	28-Feb-2026	Se_28_P_1_28_F_1_P_1_28_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2962.66863074; Eh

Results 390411-390420 of 402373 (Search time: 0.209 seconds).