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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/no-explicit-THF TS2Fe	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2220.13998506; Eh
	23-Dec-2023	/SO2Ph_CO2Bn_Comparison TS_1_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	DEF2TZVP	-1833.06182902; Eh
	23-Dec-2023	/CoTMP2_pathways/explicit-noncoordinating-THF TS1Co	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1922.62802969; Eh
	23-Dec-2023	/CoTMP2_pathways/no-explicit-THF TS2Co	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2241.77521586; 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
	23-Dec-2023	/SO2Ph_CO2Bn_Comparison TS_6_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	DEF2TZVP	-1512.32410969; Eh
	23-Dec-2023	/SO2Ph_CO2Bn_Comparison TS_6_3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	DEF2TZVP	-1512.32498453; Eh
	23-Dec-2023	/FeTMP2_pathways/pathway_in_benzene I5b	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
	23-Dec-2023	/FeTMP2_pathways/pathway_in_benzene TS2b	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1987.70602174; Eh
	28-Mar-2024	/benchmark TS1_wb97xd	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31G(D,P)	-772.512979475; Eh

Results 111-120 of 120 (Search time: 0.002 seconds).