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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_32_P_1_32_O_P_1_32_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-860.68226129; Eh
	28-Feb-2026	Si_32_P_1_32_F_P_1_32_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-985.30614412; Eh
	28-Feb-2026	Si_32_P_1_32_O_P_1_32_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-860.91768966; Eh
	28-Feb-2026	Si_32_P_1_32_F_P_1_32_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-985.30618326; Eh
	28-Feb-2026	Si_32_P_1_32_F_1_P_1_32_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-885.27341529; Eh
	28-Feb-2026	Si_32_P_1_32_O_P_1_32_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-860.91769480; Eh
	28-Feb-2026	Si_32_R_1_32_R_1_32_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-785.11692125; Eh
	28-Feb-2026	Si_36_P_1_36_O_P_1_36_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1205.64670567; Eh
	28-Feb-2026	Si_37_P_1_37_F_1_P_1_37_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-888.33407707; Eh
	28-Feb-2026	Si_36_R_1_36_R_1_36_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1129.85252155; Eh

Results 392031-392040 of 402241 (Search time: 0.284 seconds).