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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2021	NaFe-2TMP-partial-diss_TS4	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2247.42664090; Eh
	19-Mar-2021	NaFe-2TMP-partial-diss_TS5	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2247.41537677; Eh
	19-Mar-2021	NaFe-2TMP-partial-diss_TS2	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2247.43648615; Eh
	19-Mar-2021	NaFe-2TMP-partial-diss_TS3	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2247.45079400; Eh
	19-Mar-2021	NaFe-Tol-P2	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-4877.92034498; Eh
	19-Mar-2021	NaFe-2TMP_TS1	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2247.44572280; Eh
	19-Mar-2021	NaFe-2TMP_TS2	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2247.42608304; Eh
	5-May-2023	/NBO7 bpnp_Cu2_OH_TFA3_triplet_NBO7	Ieritano, Christian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	DEF2TZVPP	-5848.1894839; Eh
	19-Mar-2021	NaFe-no-Donor_TS7	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3633.76113362; Eh
	19-Mar-2021	NaFe-no-Donor_TS6	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3633.76606670; Eh

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