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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jul-2023	4_H-_at_carbon_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1368.27120993; Eh
	24-Jul-2023	4_H-_at_carbon_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1368.27119171; Eh
	24-Jul-2023	4_deprot_DHP-pos4_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1367.11068763; 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
	24-Jul-2023	Me3SiF_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-508.38533483; Eh
	24-Jul-2023	Me3SiH_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-409.24632905; Eh
	24-Jul-2023	Me3SiF_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-508.38540334; Eh
	24-Jul-2023	Me3SiH_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-409.24633254; Eh
	24-Jul-2023	DBUH+_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-461.62180516; Eh

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