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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_R_1_5_R_1_5_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-559.28851002; Eh
	28-Feb-2026	Si_5_R_1_5_R_1_5_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	-	-559.29087690; Eh
	28-Feb-2026	Si_6_P_1_6_F_P_1_6_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-950.72034079; Eh
	28-Feb-2026	Si_6_P_1_6_F_1_P_1_6_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-850.68821879; Eh
	28-Feb-2026	Si_6_P_1_6_O_P_1_6_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-826.27666006; Eh
	28-Feb-2026	Si_6_P_1_6_F_P_1_6_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-950.88956293; Eh
	28-Feb-2026	Si_6_P_1_6_O_P_1_6_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-826.50106833; Eh
	28-Feb-2026	Si_6_P_1_6_F_P_1_6_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-950.88915246; Eh
	28-Feb-2026	Si_6_P_1_6_O_P_1_6_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-826.50106999; Eh
	28-Feb-2026	Si_6_R_1_6_R_1_6_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-750.65002646; Eh

Results 384671-384680 of 397032 (Search time: 0.214 seconds).