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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_5_R_1_5_R_1_5_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-559.28851002; Eh
	28-Feb-2026	Si_5_R_1_5_R_1_5_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	-	-559.29087690; Eh
	28-Feb-2026	P2_dH_reaction_OTf_Ph3P_O_PPh3_OTf_C38F6H30O5P2S2_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3913.16883357054076; Eh
	28-Feb-2026	P2_dH_reaction_Ph3P_O_PPh3_+2_C36H30OP2_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2142.58710143861845; Eh
	28-Feb-2026	P2_dH_reaction_Ph3P_PPh3_2+_C36H30P2_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2067.43986461456052; Eh
	28-Feb-2026	P2_dH_reaction_Ph3P_O_PPh3_+2_C36H30OP2_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-2143.36987209362542; Eh
	28-Feb-2026	P2_dH_reaction_Ph3P_O_PPh3_+2_C36H30OP2_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-2143.36981131464472; Eh
	28-Feb-2026	P2_dH_reaction_Ph3P_PPh3_2+_C36H30P2_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-2068.25041869824872; Eh
	28-Feb-2026	P2_OIA_1_OIA1_Ph3P_gas_reagent_C18H15P_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-1033.71649695390693; Eh
	28-Feb-2026	P2_dH_reaction_Ph3P_PPh3_2+_C36H30P2_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-2068.25040777056893; Eh

Results 389881-389890 of 402373 (Search time: 0.233 seconds).