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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_19_P_1_19_O_P_1_19_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2665.58796299; Eh
	28-Feb-2026	Se_19_P_1_19_F_P_1_19_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2789.87112273; Eh
	28-Feb-2026	Se_19_P_1_19_F_1_P_1_19_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2689.93885228; Eh
	28-Feb-2026	Se_19_P_1_19_O_P_1_19_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2665.58798480; Eh
	28-Feb-2026	Se_22_P_1_22_F_1_P_1_22_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2925.28791942; Eh
	28-Feb-2026	Se_22_P_1_22_F_P_1_22_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3025.20023379; Eh
	28-Feb-2026	Se_21_R_1_21_R_1_21_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2746.79863781; Eh
	28-Feb-2026	Se_22_P_1_22_F_P_1_22_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3025.23370635; Eh
	28-Feb-2026	Se_22_P_1_22_F_1_P_1_22_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2925.32697677; Eh
	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

Results 383791-383800 of 397199 (Search time: 0.249 seconds).