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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Aug-2023	FeOHanionradicalCHCl3_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-1626.1318382; Eh
	17-Aug-2023	FeOHanionradical_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	GEN	-1626.04911249; Eh
	17-Aug-2023	aDoubletOther_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	GEN	-2406.82123865; Eh
	17-Aug-2023	FeOHtriplet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	GEN	-1625.94442159; Eh
	17-Aug-2023	FeOHinCHCl3_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-1625.9774787; Eh
	17-Aug-2023	fDoublet_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GEN	-2406.83935341; Eh
	17-Aug-2023	TSatof_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	GEN	-2406.79783243; Eh
	3-Aug-2023	CuONHO-ArO	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-4251.73911749; Eh
	3-Aug-2023	IM1_N-iso	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-4251.74631742; Eh
	14-Sep-2023	/Scaling_factors OH_(opt-freq)_-_B3LYP_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	6-311++G(2D,2P)	-75.7643224196; Eh

Results 801-810 of 840 (Search time: 0.002 seconds).