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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_37_R_1_37_R_1_37_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-787.97723332; Eh
	28-Feb-2026	Si_37_R_1_37_R_1_37_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-787.96735731; Eh
	28-Feb-2026	Si_40_P_1_40_F_P_1_40_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1864.42642709; Eh
	28-Feb-2026	Si_40_P_1_40_O_P_1_40_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1739.98967735; Eh
	28-Feb-2026	Si_40_R_1_40_R_1_40_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1664.26286519; Eh
	28-Feb-2026	Si_41_P_1_41_F_1_P_1_41_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1995.08053688; Eh
	28-Feb-2026	Si_40_P_1_40_O_P_1_40_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1740.15311106; Eh
	28-Feb-2026	Si_41_P_1_41_F_1_P_1_41_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1995.07989124; Eh
	28-Feb-2026	Si_40_P_1_40_O_P_1_40_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1740.15315929; Eh
	28-Feb-2026	Si_40_R_1_40_R_1_40_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1664.39828808; Eh

Results 385321-385330 of 397032 (Search time: 0.235 seconds).