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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	B3-rot-TS_MeCN_optts	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization TS	DFT	-	-800.36139024; Eh
	3-May-2023	1_gas_phase_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1266.26398030; Eh
	3-May-2023	6_DMAP_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-787.51502107; Eh
	3-May-2023	DIBipy_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-800.34416912; Eh
	24-Jul-2023	Me3SiH_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-409.24848153; Eh
	24-Jul-2023	4_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1367.59500100; 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_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1368.33841609; 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_deprot_Me_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1367.05241993; Eh

Results 131-140 of 161 (Search time: 0.002 seconds).