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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	Si_30_R_1_30_R_1_30_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-592.59381329; Eh
	28-Feb-2026	Si_30_R_1_30_R_1_30_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-592.59377714; Eh
	28-Feb-2026	Si_36_P_1_36_F_1_P_1_36_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1230.05377064; Eh
	28-Feb-2026	Si_36_P_1_36_F_P_1_36_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1330.08351979; Eh
	28-Feb-2026	Si_35_R_1_35_R_1_35_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-631.22524172; Eh
	28-Feb-2026	Si_36_P_1_36_F_1_P_1_36_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1229.81872281; Eh
	28-Feb-2026	Si_36_P_1_36_F_P_1_36_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1329.83381429; Eh
	28-Feb-2026	Si_36_P_1_36_O_P_1_36_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1205.45167540; Eh
	28-Feb-2026	Si_36_P_1_36_F_P_1_36_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1329.83391561; Eh
	28-Feb-2026	Si_36_P_1_36_F_1_P_1_36_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1229.81871760; Eh

Results 387711-387720 of 397899 (Search time: 0.22 seconds).