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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_41_P_1_41_F_P_1_41_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-4206.24126606; Eh
	28-Feb-2026	Se_41_P_1_41_F_P_1_41_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-4206.24110856; Eh
	28-Feb-2026	Se_41_P_1_41_F_1_P_1_41_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-4106.34764284; Eh
	28-Feb-2026	Se_40_R_1_40_R_1_40_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3775.76405350; Eh
	28-Feb-2026	Se_40_R_1_40_R_1_40_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3775.76405882; Eh
	28-Feb-2026	Se_7_P_1_7_F_P_1_7_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2700.40834750; Eh
	28-Feb-2026	Se_7_P_1_7_O_P_1_7_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2576.09193261; Eh
	28-Feb-2026	Se_7_R_1_7_R_1_7_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2499.99972471; Eh
	28-Feb-2026	Se_7_P_1_7_F_P_1_7_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2699.97541449; Eh
	28-Feb-2026	Se_7_P_1_7_O_P_1_7_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2575.70637711; Eh

Results 383871-383880 of 397199 (Search time: 0.242 seconds).