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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-May-2023	TS4	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-3228.73183611; Eh
	16-May-2023	TS3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-3737.57285216; Eh
	16-May-2023	TS2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-3737.52068499; Eh
	16-May-2023	TS1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-2982.40748664; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSH-JRR	Mu, Manting	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.91171824; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSH’-HSR	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.92222419; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSH’-HSS	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.92162094; Eh
	19-Nov-2023	/TBHP/proton-shuttle-inter TSpCo-Jo	Mu, Manting	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1467.36100305; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSH-JSR	Mu, Manting	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.91171806; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSH-JRS	Mu, Manting	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.91294426; Eh

Results 81-90 of 176 (Search time: 0.001 seconds).