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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	C2-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.47498868; Eh
	3-May-2023	C1-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.46367846; Eh
	3-May-2023	Py_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-247.74829303; Eh
	3-May-2023	Ph2CBipy_chelated_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-994.27471359; Eh
	3-May-2023	1_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1266.33639039; Eh
	3-May-2023	A1_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1514.08992566; Eh
	3-May-2023	DIPy_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-554.00056671; Eh
	3-May-2023	Py_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-247.74752514; Eh
	3-May-2023	TMSH_gas_ex34_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-409.24631172; Eh
	3-May-2023	triflate_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-959.99081983; Eh

Results 21-30 of 161 (Search time: 0.002 seconds).