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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Mar-2023	/Anisole-lowest-energypath TS3	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2297.30649769; Eh
	6-Aug-2022	/reaction_profile NaCo_TS-fix-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	-3655.38720144; 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
	19-Nov-2023	/H2O2/proton-shuttle one-water-assisted-proton-shuttle	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1311.34004741; 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
	23-Dec-2023	/CoTMP2_pathways/no-explicit-THF TS1Co-SMD	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1690.22282793; 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
	23-Dec-2023	/FeTMP2_pathways/no-explicit-THF TS1Fe-SMD	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1668.58755865; Eh
	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
	23-Dec-2023	/FeTMP2_pathways/explicit-noncoordinating-THF Alternative_TS2	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2220.10696751; Eh

Results 61-70 of 76 (Search time: 0.002 seconds).