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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Dec-2023	/FeTMP2_pathways/explicit-noncoordinating-THF Alternative_TS1	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1901.00559983; Eh
	29-Dec-2023	TSHOTf-enolOTF-MeCN	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-2196.37736017; Eh
	29-Dec-2023	TS1HH2O-enolH2O	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1311.34281074; Eh
	19-Nov-2023	/H2O2/proton-shuttle TSHoTF-enoloTF	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-2196.37394541; Eh
	6-Aug-2022	/reaction_profile NaCo-Cobaltallation-New-ts	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.38567280; Eh
	6-Aug-2022	/reaction_profile NaCo-sodiation-new-ts	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.39814694; Eh

Results 71-76 of 76 (Search time: 0.017 seconds).