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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_6_R_1_6_R_1_6_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-750.65002694; Eh
	28-Feb-2026	P2_OIA_2_OIA2_CF3SO2_anion_reagent_gas_CF3O2S_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-885.15461383647084; Eh
	28-Feb-2026	P2_OIA_2_OIA2_CF3SO2_anion_product_gas_CF3O3S_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-960.27083569186971; Eh
	28-Feb-2026	P2_OIA_3_Ph3PO_C18H15OP_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1109.08845434257978; Eh
	28-Feb-2026	P2_OIA_2_OIA2_CF3SO2_anion_reagent_gas_CF3O2S_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-884.88990419625975; Eh
	28-Feb-2026	P2_OIA_2_OIA2_CF3SO2_anion_reagent_gas_CF3O2S_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-884.88990484196779; Eh
	28-Feb-2026	P2_OIA_3_Ph3P+_PPh3+_C36H30P2_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-2068.25041869824872; Eh
	28-Feb-2026	P2_OIA_3_Ph3P+_PPh3+_C36H30P2_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-2068.25040777056893; Eh
	28-Feb-2026	P2_OIA_3_Ph3PO_C18H15OP_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-1109.47892124294822; Eh
	28-Feb-2026	P2_OIA_3_Ph3PO_C18H15OP_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-1109.47884552573692; Eh

Results 384681-384690 of 397032 (Search time: 0.255 seconds).