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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	Me3SiF_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-508.38045834; Eh
	24-Jul-2023	H-_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-0.62131075; Eh
	24-Jul-2023	F-_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-99.73376204; Eh
	24-Jul-2023	H-_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-0.44561699; Eh
	24-Jul-2023	4_F-_at_carbon_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1467.40896334; Eh
	24-Jul-2023	4_F-_at_carbon_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1467.33932178; Eh
	24-Jul-2023	4_F-_at_carbon_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1467.40896911; Eh
	24-Jul-2023	4_deprot_DHP-pos2_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1367.06395759; 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_DHP-pos3_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1367.05475633; Eh

Results 51-60 of 60 (Search time: 0.001 seconds).