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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jan-2021	/W5-Substrate-Assisted-Mech W2O15-2NPP-H2O-4wat-Product	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-18.55943094; Eh
	13-Jan-2021	/W2-Substrate-Assisted-Mech/W2-0wat W2O8H4-pNPP-Reactants	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-8.86358257; Eh
	13-Jan-2021	/W2-Substrate-Assisted-Mech/W2-2wat 2H2O+W2O8H4-pNPP-Products	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-9.91864576; Eh
	13-Jan-2021	/W2-Substrate-Assisted-Mech/W2-3wat 3H2O+W2O8H4-pNPP-Reactants	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-10.47681385; Eh
	13-Jan-2021	/No-Catalysis-Substrate-Assisted-Mech/4_water_extra_molecules p-NphenPhos-Prod+4wat	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-7.45864768; Eh
	13-Jan-2021	/Mo2-Substrate-Assited-Mech/Mo2-1wat H2O+Mo-1W-Reactants	Sanchez-Gonzalez, Angel	ADF; 2018	Geometry optimization	BP86	TZP	-9.23485240; Eh
	13-Jan-2021	/Mo2-Substrate-Assited-Mech/Mo2-0wat H2O+Mo-0W-Products	Sanchez-Gonzalez, Angel	ADF; 2018	Geometry optimization	BP86	TZP	-8.70022487; Eh
	13-Jan-2021	/Mo2-Substrate-Assited-Mech/Mo2-4wat H2O+Mo-4w-Products	Sanchez-Gonzalez, Angel	ADF; 2018	Geometry optimization	BP86	TZP	-10.86833167; Eh
	13-Jan-2021	/W2-Substrate-Assisted-Mech/W2-3wat 3H2O+W2O8H4-pNPP-Products	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-10.45792585; Eh
	26-Sep-2023	WD-PO4-BP86-OPT	Malcolm, Daniel	AMS; 2020.102; r90821	Geometry optimization	BP86	-	-716.641903; eV

Results 31-40 of 141 (Search time: 0.002 seconds).