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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_13_R_1_13_R_1_13_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2550.80398395; Eh
	28-Feb-2026	Se_14_P_1_14_F_P_1_14_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2789.85985854; Eh
	28-Feb-2026	Se_14_P_1_14_F_1_P_1_14_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2689.92973329; Eh
	28-Feb-2026	Se_14_P_1_14_F_P_1_14_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2789.85988640; Eh
	28-Feb-2026	Se_14_P_1_14_F_1_P_1_14_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2689.92972344; Eh
	28-Feb-2026	Se_13_R_1_13_R_1_13_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2550.52666042; Eh
	28-Feb-2026	Se_13_R_1_13_R_1_13_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2550.52666308; Eh
	28-Feb-2026	Se_18_P_1_18_F_P_1_18_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3181.91949867; Eh
	28-Feb-2026	Se_18_P_1_18_O_P_1_18_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3057.60871733; Eh
	28-Feb-2026	Se_18_R_1_18_R_1_18_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2981.92262174; Eh

Results 384441-384450 of 397199 (Search time: 0.248 seconds).