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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_18_P_1_18_F_P_1_18_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1070.64670817; Eh
	28-Feb-2026	Si_18_P_1_18_F_1_P_1_18_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-970.64748892; Eh
	28-Feb-2026	Si_17_R_1_17_R_1_17_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-713.69139608; Eh
	28-Feb-2026	Si_18_P_1_18_F_P_1_18_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1071.07246801; Eh
	28-Feb-2026	Si_18_P_1_18_F_1_P_1_18_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-971.08830406; Eh
	28-Feb-2026	Si_18_P_1_18_F_P_1_18_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1071.07258448; Eh
	28-Feb-2026	Si_18_P_1_18_F_1_P_1_18_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-971.08832357; Eh
	28-Feb-2026	Si_17_R_1_17_R_1_17_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-713.96003786; Eh
	28-Feb-2026	Si_17_R_1_17_R_1_17_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-713.95593353; Eh
	28-Feb-2026	Si_21_P_1_21_F_1_P_1_21_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-735.54172085; Eh

Results 385251-385260 of 397032 (Search time: 0.224 seconds).