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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_29_P_1_29_F_P_1_29_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3018.05837912; Eh
	28-Feb-2026	Se_29_P_1_29_O_P_1_29_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2893.74851235; Eh
	28-Feb-2026	Se_29_R_1_29_R_1_29_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2818.07790445; Eh
	28-Feb-2026	Se_29_P_1_29_F_P_1_29_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3017.95602682; Eh
	28-Feb-2026	Se_29_P_1_29_O_P_1_29_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2893.68489675; Eh
	28-Feb-2026	Se_29_P_1_29_F_P_1_29_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3017.95601727; Eh
	28-Feb-2026	Se_29_P_1_29_O_P_1_29_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2893.68488879; Eh
	28-Feb-2026	Se_29_R_1_29_R_1_29_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2817.98746457; Eh
	28-Feb-2026	Se_29_R_1_29_R_1_29_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2817.90692990; Eh
	28-Feb-2026	Se_30_P_1_30_F_1_P_1_30_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2804.13812357; Eh

Results 385161-385170 of 397032 (Search time: 0.247 seconds).