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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_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
	28-Feb-2026	Si_36_P_1_36_O_P_1_36_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1205.45164863; Eh
	28-Feb-2026	Si_3_P_1_3_F_1_P_1_3_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-468.29551037; Eh
	28-Feb-2026	Si_3_P_1_3_F_P_1_3_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-568.36439277; Eh
	28-Feb-2026	Si_39_R_1_39_R_1_39_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-972.98647173; Eh
	28-Feb-2026	Si_3_P_1_3_F_P_1_3_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-568.27023480; Eh
	28-Feb-2026	Si_3_P_1_3_F_1_P_1_3_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-468.21972523; Eh
	28-Feb-2026	Si_3_P_1_3_O_P_1_3_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-443.87467046; Eh

Results 383971-383980 of 397199 (Search time: 0.208 seconds).