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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_24_P_1_24_F_P_1_24_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1061.20807465; Eh
	28-Feb-2026	Si_24_P_1_24_O_P_1_24_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-936.76988010; Eh
	28-Feb-2026	Si_24_R_1_24_R_1_24_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-860.92693334; Eh
	28-Feb-2026	Si_24_P_1_24_O_P_1_24_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-937.03976672; Eh
	28-Feb-2026	Si_24_P_1_24_F_P_1_24_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1061.42250792; Eh
	28-Feb-2026	Si_24_P_1_24_F_P_1_24_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1061.42250382; Eh
	28-Feb-2026	Si_24_P_1_24_O_P_1_24_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-937.03977707; Eh
	28-Feb-2026	Si_24_R_1_24_R_1_24_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-861.19508573; Eh
	28-Feb-2026	Si_24_R_1_24_R_1_24_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-861.19507741; Eh
	28-Feb-2026	Si_27_P_1_27_F_P_1_27_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-753.63907869; Eh

Results 383921-383930 of 397199 (Search time: 0.209 seconds).