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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_23_P_1_23_F_1_P_1_23_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-730.85370413; Eh
	28-Feb-2026	Si_22_R_1_22_R_1_22_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-713.94684462; Eh
	28-Feb-2026	Si_22_R_1_22_R_1_22_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-713.94682380; Eh
	28-Feb-2026	Si_27_P_1_27_F_P_1_27_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-753.63907869; Eh
	28-Feb-2026	Si_27_P_1_27_F_1_P_1_27_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-653.57803913; Eh
	28-Feb-2026	Si_27_P_1_27_O_P_1_27_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-629.19695484; Eh
	28-Feb-2026	Si_27_P_1_27_F_P_1_27_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-753.61137898; Eh
	28-Feb-2026	Si_27_P_1_27_O_P_1_27_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-629.22413954; Eh
	28-Feb-2026	Si_27_P_1_27_F_P_1_27_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-753.61141827; Eh
	28-Feb-2026	Si_27_P_1_27_F_1_P_1_27_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-653.56690171; Eh

Results 391771-391780 of 402248 (Search time: 0.209 seconds).