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Browsing by Subject Nitrogen activation

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Showing results 170 to 171 of 171 < previous

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Apr-2023	/transeff frq_opt_I_bPh3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3818.06508851; Eh
	6-Apr-2023	/transeff frq_opt_OH_bcl3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4281.78721772; Eh

Showing results 170 to 171 of 171 < previous