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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	D1-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.47590784; Eh
	3-May-2023	TMS_cation_ex34_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-408.43735130; Eh
	3-May-2023	E1-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.47669669; Eh
	3-May-2023	C1-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.46367846; Eh
	3-May-2023	C2-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.47498868; Eh
	3-May-2023	7_OTf_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1267.10376449; Eh
	3-May-2023	TMS_cation_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-408.43726258; Eh
	3-May-2023	A1_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1514.08992566; Eh
	3-May-2023	BCF-hydride_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-2204.67590896; Eh
	3-May-2023	7_OTf_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1267.14778512; Eh

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