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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jan-2021	/Mo2-Substrate-Assited-Mech/Mo2-1wat H2O+MO-1W-Products	Sanchez-Gonzalez, Angel	ADF; 2018	Geometry optimization	BP86	TZP	-9.24001949; Eh
	13-Jan-2021	/Mo2-Substrate-Assited-Mech/Mo2-Isomer-4wat H2O+MoIsomer-4W-Reactants	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-10.87829570; Eh
	13-Jan-2021	/W2-Substrate-Assisted-Mech/W2-0wat W2O8H4-pNPP-products	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-8.83897224; Eh
	13-Jan-2021	/W2-Substrate-Assisted-Mech/W2-Isomer-4wat H2O-W2Isomer-4wat-Products	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-11.03904467; Eh
	13-Jan-2021	/No-Catalysis-Substrate-Assisted-Mech/4_water_extra_molecules P-NphenPhos-React+4wat	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-7.45852062; Eh
	13-Jan-2021	/No-Catalysis-Substrate-Assisted-Mech/0_water_extra_molecules p-NphenPhos-Prod	Sanchez-Gonzalez, Angel	ADF; 2018	Geometry optimization	BP86	TZP	-5.30081018; Eh
	13-Jan-2021	/Mo5-2pNPP-Substrate-Assisted-Mech 4wat-Mo5-2NPP-Products	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-18.20140146; Eh
	13-Jan-2021	/Mo2-Substrate-Assited-Mech/Mo2-0wat H20+Mo-0W-Reactants	Sanchez-Gonzalez, Angel	ADF; 2018	Geometry optimization	BP86	TZP	-8.69676161; Eh
	13-Jan-2021	/W2-Substrate-Assisted-Mech/W2-1wat 1H20+W2O8H4-pNPP-React	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-9.40113746; Eh
	13-Jan-2021	/W5-Substrate-Assisted-Mech W2O15-2NPP-H2O-4wat-Product	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-18.55943094; Eh

Results 31-40 of 60 (Search time: 0.001 seconds).