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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_1e/0H 0H	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-
	25-Jun-2024	/Intermediates/Pd/100 C4H10N2_6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-328.29715458; eV
	6-Feb-2025	/FASnCl3_Pm3m OPT	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-59.68429825; eV
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_1e/2H/SeT_2ring_Se_4ring_2_BB7 SeT_2ring_Se_4ring_2_BB7	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_2e/TS/Heyrovsky_2ring/second_run_moved_zundel Heyrovsky_2ring	Masaityté, Liudvika	ADF; 2017	Transition state	PBE	TZ2P	-
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_1e/2H/SeT_SeT_2ring_both_BB1 SeT_SeT_2ring_both_BB1	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_1e/2H/SeT_2_SeT_4_1_s_BB8 SeT_2_SeT_4_1_s_BB8	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_2e/TS/Heyrovsky_4ring Heyrovsky_4ring	Masaityté, Liudvika	ADF; 2017	Transition state	PBE	TZ2P	-
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_2e/TS/2ring_tafel 2ring_tafel	Masaityté, Liudvika	ADF; 2017	Transition state	PBE	TZ2P	-
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_2e/0H 0H	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-

Results 60511-60520 of 104157 (Search time: 0.035 seconds).