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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_30_R_1_30_R_1_30_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2703.88696444; Eh
	28-Feb-2026	Se_34_P_1_34_F_P_1_34_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3135.93842828; Eh
	28-Feb-2026	Se_34_P_1_34_O_P_1_34_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3011.61651799; Eh
	28-Feb-2026	Se_34_R_1_34_R_1_34_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2935.92199963; Eh
	28-Feb-2026	Se_34_P_1_34_F_P_1_34_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3135.88726556; Eh
	28-Feb-2026	Se_34_P_1_34_O_P_1_34_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3011.61242100; Eh
	28-Feb-2026	Se_34_P_1_34_F_P_1_34_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3135.88572778; Eh
	28-Feb-2026	Se_34_P_1_34_O_P_1_34_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3011.61242360; Eh
	28-Feb-2026	Se_34_R_1_34_R_1_34_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2935.88932104; Eh
	28-Feb-2026	Se_34_R_1_34_R_1_34_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2935.88931255; Eh

Results 384501-384510 of 397199 (Search time: 0.216 seconds).