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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_1_P_1_1_F_P_1_1_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-489.76729570; Eh
	28-Feb-2026	Si_1_P_1_1_F_1_P_1_1_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-389.67816623; Eh
	28-Feb-2026	Si_1_P_1_1_O_P_1_1_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-365.37105541; Eh
	28-Feb-2026	Si_19_R_1_19_R_1_19_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-478.47178644; Eh
	28-Feb-2026	Si_1_P_1_1_F_P_1_1_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-489.76729509; Eh
	28-Feb-2026	Si_1_P_1_1_F_1_P_1_1_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-389.67816607; Eh
	28-Feb-2026	Si_23_P_1_23_F_P_1_23_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-830.84678882; Eh
	28-Feb-2026	Si_23_P_1_23_O_P_1_23_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-706.40666126; Eh
	28-Feb-2026	Si_23_R_1_23_R_1_23_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-630.55612163; Eh
	28-Feb-2026	Si_24_P_1_24_F_1_P_1_24_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-961.39738843; Eh

Results 391121-391130 of 402284 (Search time: 0.195 seconds).