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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_41_P_1_41_F_1_P_1_41_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1995.07989124; Eh
	28-Feb-2026	Si_41_P_1_41_O_P_1_41_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1970.70202969; Eh
	28-Feb-2026	Si_9_P_1_9_F_P_1_9_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-628.33866191; Eh
	28-Feb-2026	Si_9_P_1_9_O_P_1_9_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-503.88330970; Eh
	28-Feb-2026	Si_9_R_1_9_R_1_9_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-427.85375435; Eh
	28-Feb-2026	P2_dH_Ph3P_Ph3P+2_Ph3P_2+_C18H15P_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-1033.71649572933779; Eh
	28-Feb-2026	Si_9_P_1_9_O_P_1_9_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-503.75891519; Eh
	28-Feb-2026	Si_9_P_1_9_F_P_1_9_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-628.15641630; Eh
	28-Feb-2026	Si_9_P_1_9_O_P_1_9_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-503.75891747; Eh
	28-Feb-2026	Si_9_R_1_9_R_1_9_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-427.70504703; Eh

Results 390521-390530 of 402373 (Search time: 0.209 seconds).