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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_14_P_1_14_O_P_1_14_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-554.39179610; Eh
	28-Feb-2026	Si_15_P_1_15_F_P_1_15_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-718.00204003; Eh
	28-Feb-2026	Si_15_P_1_15_F_1_P_1_15_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-617.97152178; Eh
	28-Feb-2026	Si_14_R_1_14_R_1_14_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-478.48239732; Eh
	28-Feb-2026	Si_15_P_1_15_F_1_P_1_15_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-617.98507216; Eh
	28-Feb-2026	Si_15_P_1_15_F_P_1_15_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-717.99911945; Eh
	28-Feb-2026	Si_15_P_1_15_F_P_1_15_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-717.99913600; Eh
	28-Feb-2026	Si_15_P_1_15_F_1_P_1_15_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-617.98507579; Eh
	28-Feb-2026	Si_14_R_1_14_R_1_14_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-478.46848445; Eh
	28-Feb-2026	Si_14_R_1_14_R_1_14_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-478.46845883; Eh

Results 385241-385250 of 397032 (Search time: 0.273 seconds).