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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_11_P_1_11_O_P_1_11_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-932.35504721; Eh
	28-Feb-2026	Si_11_P_1_11_F_1_P_1_11_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-956.68863990; Eh
	28-Feb-2026	Si_11_P_1_11_F_P_1_11_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1056.74693125; Eh
	28-Feb-2026	Si_16_P_1_16_F_P_1_16_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-757.17657127; Eh
	28-Feb-2026	Si_16_P_1_16_O_P_1_16_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-632.73684962; 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_16_P_1_16_F_P_1_16_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-757.22390493; Eh
	28-Feb-2026	Si_16_P_1_16_O_P_1_16_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-632.83773060; Eh
	28-Feb-2026	Si_16_P_1_16_F_P_1_16_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-757.22391639; Eh
	28-Feb-2026	Si_16_P_1_16_O_P_1_16_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-632.83773519; Eh

Results 383891-383900 of 397199 (Search time: 0.212 seconds).