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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2022	Co-3O-2Ce3-32_36	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-858.54452706; eV
	1-Mar-2022	Co-3O-2Ce3-32_35	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-858.91867150; eV
	25-Jun-2024	/Intermediates/Zn/10m10 HO_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	28-Feb-2022	/Mo2O2Se6/Mo2O2Se6_2e/2H/Mo2O2Se6_2H_St_S_diff_BC1 Mo2O2Se6_2H_St_S_diff_BC1	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-
	28-Feb-2022	/Mo2O2Se6/Mo2O2Se6_2e/2H/Mo2O2Se6_2H_St_S_same_BC2 Mo2O2Se6_2H_St_S_same_BC2	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-
	28-Feb-2022	/min_hey_reac_prod/Mo2O2Se6_1e_1H_prod2 Mo2O2Se6_1e_1H_prod2	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-
	28-Feb-2022	/min_hey_reac_prod/Mo2O2Se8_2e_2H_react Mo2O2Se8_2e_2H_react	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-
	28-Feb-2022	/Mo2O2Se6/TS/TS_tafel/TS_SHOH_water TS_SHOH_water	Masaityté, Liudvika	ADF; 2017	Transition state	PBE	TZ2P	-
	28-Feb-2022	/Mo2O2Se6/TS/TS_tafel/TS_SHOH TS_SHOH	Masaityté, Liudvika	ADF; 2017	Transition state	PBE	TZ2P	-
	28-Feb-2022	/Mo2O2Se6/Mo2O2Se6_2e/2H/BA1 BA1	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-

Results 60491-60500 of 104157 (Search time: 0.035 seconds).