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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_5_P_1_5_F_1_P_1_5_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-659.55092441; Eh
	28-Feb-2026	Si_4_R_1_4_R_1_4_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-519.99618208; Eh
	28-Feb-2026	Si_4_R_1_4_R_1_4_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-519.99617898; Eh
	28-Feb-2026	Si_5_P_1_5_F_P_1_5_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-759.54240177; Eh
	28-Feb-2026	Si_5_P_1_5_O_P_1_5_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-635.09670631; Eh
	28-Feb-2026	Si_5_R_1_5_R_1_5_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-559.22342770; Eh
	28-Feb-2026	Si_6_P_1_6_F_1_P_1_6_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-850.87301137; Eh
	28-Feb-2026	Si_5_P_1_5_O_P_1_5_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-635.18986274; Eh
	28-Feb-2026	Si_6_P_1_6_F_1_P_1_6_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-850.87301777; Eh
	28-Feb-2026	Si_5_P_1_5_O_P_1_5_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-635.18986669; Eh

Results 384661-384670 of 397032 (Search time: 0.209 seconds).