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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2023	/Minima_Calculations/W10O32H0_int W10O32H0_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-13.86667741; Eh
	1-Mar-2023	/Minima_Calculations/W03O11H0_intlineal W03O11H0_intlineal	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-4.87660839; Eh
	1-Mar-2023	/Minima_Calculations/W12O42H1_intpara W12O42H1_intpara	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-18.41307025; Eh
	1-Mar-2023	/TransitionState_Calculations/cyclic_h3w3o11_ts2 cyclic_h3w3o11_ts2	Petrus, Enric	ADF; 2019; 302	Transition state	PBE	TZP	-
	1-Mar-2023	/TransitionState_Calculations/h2w5o17_ts2 h2w5o17_ts2	Petrus, Enric	ADF; 2019; 302	Transition state	PBE	TZP	-
	1-Mar-2023	/TransitionState_Calculations/h3w2o8_ts2 h3w2o8_ts2	Petrus, Enric	ADF; 2019; 302	Transition state	PBE	TZP	-
	1-Mar-2023	/TransitionState_Calculations/h1w5o17_ts1 h1w5o17_ts1	Petrus, Enric	ADF; 2019; 302	Transition state	PBE	TZP	-
	31-Jul-2023	/M_N_SACs/M_tr_C4N0_C5N1/Zn_tr_C4N0_C5N1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-650.27157843; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N0_C5N1/Pd_tr_C4N0_C5N1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-654.70807889; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N0_C5N1/Rh_tr_C4N0_C5N1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-658.79066369; eV

Results 49461-49470 of 104124 (Search time: 0.031 seconds).