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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_17_P_1_17_F_1_P_1_17_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2925.34965416; Eh
	28-Feb-2026	Se_17_P_1_17_F_P_1_17_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3025.25571745; Eh
	28-Feb-2026	Se_17_P_1_17_F_1_P_1_17_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2925.34959038; Eh
	28-Feb-2026	Se_16_R_1_16_R_1_16_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2668.26238298; Eh
	28-Feb-2026	Se_16_R_1_16_R_1_16_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2668.26237144; Eh
	28-Feb-2026	Se_19_P_1_19_F_1_P_1_19_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2690.18610165; Eh
	28-Feb-2026	Se_19_P_1_19_F_P_1_19_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2790.12998253; Eh
	28-Feb-2026	Se_19_P_1_19_O_P_1_19_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2665.80116683; Eh
	28-Feb-2026	Se_19_P_1_19_F_P_1_19_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2789.87106381; Eh
	28-Feb-2026	Se_19_P_1_19_F_1_P_1_19_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2689.93884462; Eh

Results 383781-383790 of 397199 (Search time: 0.212 seconds).