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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	/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	/TBHP/proton-shuttle-inter Cop	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1467.36386429; Eh
	19-Nov-2023	/TBHP/proton-shuttle-inter Jop	Mu, Manting	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1467.36470366; 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
	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	/H2O2/12-hydride-shift Jo-OOH	Mu, Manting	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1310.17057773; Eh
	19-Nov-2023	/H2O2/12-hydride-shift J	Mu, Manting	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1235.02645833; Eh
	19-Nov-2023	/H2O2/12-hydride-shift Jo	Mu, Manting	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1235.05868709; Eh
	19-Nov-2023	/H2O2/12-hydride-shift acetophenone	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-384.792058660; Eh

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