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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_29_P_1_29_O_P_1_29_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-782.49382549; Eh
	28-Feb-2026	Si_2_P_1_2_F_1_P_1_2_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-428.95251692; Eh
	28-Feb-2026	Si_29_R_1_29_R_1_29_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-706.70741423; Eh
	28-Feb-2026	Si_2_P_1_2_F_1_P_1_2_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-428.95251045; Eh
	28-Feb-2026	Si_29_R_1_29_R_1_29_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-706.58507671; Eh
	28-Feb-2026	Si_32_P_1_32_F_1_P_1_32_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-885.07802334; Eh
	28-Feb-2026	Si_31_P_1_31_O_P_1_31_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-866.35830655; Eh
	28-Feb-2026	Si_31_R_1_31_R_1_31_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-790.51323367; Eh
	28-Feb-2026	Si_32_P_1_32_F_1_P_1_32_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-885.27341684; Eh
	28-Feb-2026	Si_31_P_1_31_O_P_1_31_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-866.37266705; Eh

Results 385291-385300 of 397032 (Search time: 0.218 seconds).