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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_3_P_1_3_O_P_1_3_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2555.37858825; Eh
	28-Feb-2026	Se_3_R_1_3_R_1_3_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2479.47047904; Eh
	28-Feb-2026	Se_3_P_1_3_F_P_1_3_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2679.36311234; Eh
	28-Feb-2026	Se_3_P_1_3_O_P_1_3_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2555.11688061; Eh
	28-Feb-2026	Se_3_P_1_3_F_P_1_3_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2679.36310930; Eh
	28-Feb-2026	Se_3_P_1_3_O_P_1_3_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2555.11687088; Eh
	28-Feb-2026	Se_3_R_1_3_R_1_3_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2479.18165140; Eh
	28-Feb-2026	Se_3_R_1_3_R_1_3_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2479.18164950; Eh
	28-Feb-2026	Se_5_P_1_5_F_P_1_5_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2870.88764587; Eh
	28-Feb-2026	Se_5_P_1_5_F_1_P_1_5_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2770.95072435; Eh

Results 384521-384530 of 397056 (Search time: 0.245 seconds).