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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_13_P_1_13_F_1_P_1_13_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-539.53165462; Eh
	28-Feb-2026	Si_12_P_1_12_O_P_1_12_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-475.94816045; Eh
	28-Feb-2026	Si_12_P_1_12_F_P_1_12_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-600.33232548; Eh
	28-Feb-2026	Si_12_P_1_12_O_P_1_12_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-475.94816015; Eh
	28-Feb-2026	Si_12_R_1_12_R_1_12_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-399.98063044; Eh
	28-Feb-2026	Si_12_R_1_12_R_1_12_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-399.98063018; Eh
	28-Feb-2026	Si_17_P_1_17_F_P_1_17_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-913.95034399; Eh
	28-Feb-2026	Si_17_P_1_17_F_1_P_1_17_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-813.92962785; Eh
	28-Feb-2026	Si_16_R_1_16_R_1_16_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-556.86888840; Eh
	28-Feb-2026	Si_17_P_1_17_F_P_1_17_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-914.17796586; Eh

Results 387671-387680 of 397899 (Search time: 0.242 seconds).