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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_33_P_1_33_O_P_1_33_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-825.30934489; Eh
	28-Feb-2026	Si_33_P_1_33_F_P_1_33_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-949.69234525; Eh
	28-Feb-2026	Si_33_P_1_33_F_1_P_1_33_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-849.66577267; Eh
	28-Feb-2026	Si_32_R_1_32_R_1_32_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-785.11691411; Eh
	28-Feb-2026	Si_37_P_1_37_F_P_1_37_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-988.38548769; Eh
	28-Feb-2026	Si_37_P_1_37_O_P_1_37_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-863.94114757; Eh
	28-Feb-2026	Si_37_R_1_37_R_1_37_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-788.07297597; Eh
	28-Feb-2026	Si_38_P_1_38_F_1_P_1_38_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1386.74675830; Eh
	28-Feb-2026	Si_37_P_1_37_F_P_1_37_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-988.26008916; Eh
	28-Feb-2026	Si_37_P_1_37_O_P_1_37_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-863.87339274; Eh

Results 390501-390510 of 402373 (Search time: 0.229 seconds).