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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	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_H-_at_carbon_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1368.27120993; Eh
	24-Jul-2023	4_F-_at_carbon_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1467.33917073; 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_F-_at_phos_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1467.40050049; Eh
	24-Jul-2023	4_H-_at_carbon_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1368.33841609; Eh
	24-Jul-2023	4_F-_at_phos_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1467.32651666; Eh

Results 451-460 of 501 (Search time: 0.001 seconds).