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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_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
	24-Jul-2023	4_F-_at_phos_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1467.40049944; Eh
	24-Jul-2023	4_H-_at_carbon_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1368.33839018; Eh
	24-Jul-2023	4_F-_at_phos_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1467.32651962; Eh
	24-Jul-2023	4_H-_at_phos_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1368.26946211; Eh
	24-Jul-2023	4_H-_at_phos_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1368.26944701; Eh
	24-Jul-2023	4_H-_at_phos_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1368.20423922; Eh
	24-Jul-2023	PBu3H+_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-813.98120699; Eh

Results 31-40 of 60 (Search time: 0.001 seconds).