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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/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/proton-shuttle TSCROTf-ROOTf	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-2120.47816849; Eh
	19-Nov-2023	/TBHP/12-hydride-shift TSpI-Hp	Mu, Manting	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1392.14856751; Eh
	30-Jan-2023	pd_picyne_3_pph3_ts_3_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP GEN	-3697.57085953; Eh
	30-Jan-2023	ni_picyne_4_ts_1_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-4886.86640362; Eh
	15-Jun-2023	t7h_pmm_ppm_opt_ts_bis	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-2534.12996405; Eh
	20-Sep-2023	t7h_mmm_pmm_temp	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-2534.11011575; Eh
	20-Sep-2023	t7hr_pmm_ppm_temp	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-2534.12996405; Eh
	30-Jan-2023	ni_picyne_2_ts_1_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-3197.50854914; Eh
	30-Jan-2023	ni_picyne_3_ts_2_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-4042.24614404; Eh

Results 101-110 of 164 (Search time: 0.002 seconds).