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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-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	-2712.19370946; Eh
	19-Mar-2021	NaFe-1TMP-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	-2712.20041211; Eh
	19-Mar-2021	NaFe-1TMP-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	-2712.19238771; Eh
	27-Jul-2021	/TS_oxo_OH_Mes Fe-oxo-Mes-H-ts-F-ts3	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2326.75086663; Eh
	27-Jul-2021	/TS_oxo_OH_Cy Fe-oxo-H-reprot-scan-ts	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1983.92914324; Eh
	18-Mar-2022	TS-CO2RR-unassisted	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1560.93578331; Eh
	18-Mar-2022	TS-HER	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1890.82229266; Eh
	18-Mar-2022	TS5a-5b	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1372.39662855; Eh
	30-Sep-2021	TS-CO2RR_EMIM	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1528.42346297; Eh
	30-Sep-2021	TS-CO2RR	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1183.87453906; Eh

Results 51-60 of 120 (Search time: 0.002 seconds).