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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jan-2021	/W2-Substrate-Assisted-Mech/W2-4wat 4H2O+W2O8H4-pNPP-Products	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-11.02800406; Eh
	13-Jan-2021	/W2-Substrate-Assisted-Mech/W2-Isomer-4wat H20+W2Isomer-4Wat_reactants	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-11.03531758; Eh
	13-Jan-2021	/No-Catalysis-Solvent-Assisted-Mech p-NphenPhos-Prod-SolvAs+4wat	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-7.43017123; Eh
	13-Jan-2021	/No-Catalysis-Solvent-Assisted-Mech p-NphenPhos-Ts-SolvAs+4wat	Sanchez-Gonzalez, Angel	ADF; 2019	Transition state	BP86	TZP	-7.42127038; Eh
	13-Jan-2021	/Mo5-2pNPP-Substrate-Assisted-Mech 4wat-Mo5-2NPP-Reactants	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-18.19650797; Eh
	13-Jan-2021	/Mo2-Substrate-Assited-Mech/Mo2-4wat H2O+Mo-4W-TS	Sanchez-Gonzalez, Angel	ADF; 2018	Transition state	BP86	TZP	-10.83984092; Eh
	13-Jan-2021	/W5-Substrate-Assisted-Mech W5O23-2NPP-H2O-Products	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-16.39697025; Eh
	13-Jan-2021	/W5-Substrate-Assisted-Mech W5O23-2NPP-H2O-Int	Sanchez-Gonzalez, Angel	ADF; 2018	Transition state	BP86	TZP	-16.34180038; Eh
	13-Jan-2021	/POMs Mo2O8H4-ISOMER	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-3.37083890; Eh
	13-Jan-2021	/POMs Mo7O24	Sanchez-Gonzalez, Angel	ADF; 2019	Geometry optimization	BP86	TZP	-9.92905205; Eh

Results 21-30 of 66 (Search time: 0.001 seconds).