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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_27_P_1_27_O_P_1_27_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-629.22413946; Eh
	28-Feb-2026	Si_27_R_1_27_R_1_27_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-553.32694824; 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_32_P_1_32_F_P_1_32_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-985.12615535; Eh
	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

Results 391781-391790 of 402241 (Search time: 0.248 seconds).