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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	19-Nov-2023	/H2O2/12-hydride-shift TSH-JSS	Mu, Manting	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.91306518; Eh
	19-Nov-2023	/TBHP/proton-shuttle-intra TSpHOTf-enolOTf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-2353.59829367; Eh
	19-Nov-2023	/TBHP/12-hydride-shift TSpH-J	Mu, Manting	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1392.13662000; Eh
	19-Nov-2023	/TBHP/12-hydride-shift TSHbp-Hb	Mu, Manting	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1392.15597639; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSI-H’RR	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.92043684; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSI-H’SS	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.92231918; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSH’-HRR	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.92324914; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSH’-HRS	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.92202483; Eh

Results 31-40 of 60 (Search time: 0.002 seconds).