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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-1TMP-Toluene_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	-2983.72672598; Eh
	19-Mar-2021	NaFe-1TMP-Toluene_TS2	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2983.73262462; Eh
	19-Mar-2021	NaFe-1TMP-Toluene_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	-2983.73432065; Eh
	19-Mar-2021	NaFe-1TMP-Toluene_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	-2983.73767929; Eh
	19-Mar-2021	NaFe-2TMP-partial-diss_TS14	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2247.38158979; Eh
	19-Mar-2021	NaFe-2TMP-partial-diss_TS13	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2247.39899329; Eh
	19-Mar-2021	NaFe-Anisole-I3	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1857.85644953; 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_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	-2247.43074603; 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

Results 11-20 of 103 (Search time: 0.001 seconds).