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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Sep-2023	hbtp_pmm_mmm_ts	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-1613.26204074; Eh
	20-Sep-2023	hbtp_mpp_pmm_ts	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-1613.28549936; Eh
	20-Sep-2023	hbtp_ppp_mpp_ts	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-1613.26204065; 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 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 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/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
	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	/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

Results 81-90 of 163 (Search time: 0.002 seconds).