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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	7_DMAP_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-688.44848024; Eh
	3-May-2023	BCF-hydride_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-2204.67590896; Eh
	3-May-2023	BCF_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-2203.96440846; Eh
	3-May-2023	6_OTf_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1366.18077487; Eh
	3-May-2023	7_OTf_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1267.14778512; Eh
	3-May-2023	4_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-406.10575857; Eh
	3-May-2023	Bipy_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-494.31606591; Eh
	3-May-2023	DIBipy-chelation-TS_MeCN_optts	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization TS	DFT	-	-800.57989214; Eh
	3-May-2023	TMS_cation_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-408.35692919; Eh
	3-May-2023	Ph2CBipy_open_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-994.20800808; Eh

Results 31-40 of 101 (Search time: 0.001 seconds).