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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-May-2023	B2-TS_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1760.62307119; Eh
	24-Jul-2023	H-_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-0.62131075; Eh
	24-Jul-2023	F-_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-99.58814107; Eh
	24-Jul-2023	H-_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-0.44561699; Eh
	24-Jul-2023	Me3Si+_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-408.44516186; Eh
	24-Jul-2023	F-_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-99.73376204; Eh
	24-Jul-2023	4_deprot_DHP-pos2_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1367.06413961; Eh
	24-Jul-2023	4_deprot_Me_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1367.05241993; Eh
	24-Jul-2023	4_deprot_DHP-pos4_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1367.11062474; Eh
	24-Jul-2023	4_deprot_DHP-pos3_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1367.05622747; Eh

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