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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 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
	19-Nov-2023	/H2O2/12-hydride-shift H’RR	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.93755416; Eh
	19-Nov-2023	/H2O2/12-hydride-shift H’SS	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.93471258; Eh
	12-Aug-2023	46	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-974.189161211; Eh
	12-Aug-2023	41	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-857.593429186; Eh
	19-Nov-2023	/H2O2/proton-shuttle Alternative-proton-transfers-TS-assisted-by-H2O2	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1386.55888455; Eh
	19-Nov-2023	/H2O2/proton-shuttle Alternative-proton-transfers-TS-assisted-by-H2O	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1386.56002755; Eh
	19-Nov-2023	/H2O2/proton-shuttle two-water-assisted-proton-shuttle	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1387.76963773; Eh

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