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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
27-Oct-2017	/DFT/Pathway_1 1_4	Bandeira, Nuno	ADF; 2016	Geometry optimization Minimum	DFT	TZP; DZP	-45.95756126; Eh
27-Oct-2017	/DFT Amide_Product	Bandeira, Nuno	ADF; 2016	Geometry optimization Minimum	DFT	TZP; DZP	-23.21284734; Eh
27-Oct-2017	/DFT/Pathway_3 3_2_2_triplet	Bandeira, Nuno	ADF; 2016	Geometry optimization Minimum	DFT	TZP; DZP	-46.65329050; Eh
27-Oct-2017	/DFT/Water 3_2_1	Bandeira, Nuno	ADF; 2016	Geometry optimization Minimum	DFT	TZP; DZP	-23.12908050; Eh
27-Oct-2017	/DFT/Pathway_3 3_3_3	Bandeira, Nuno	ADF; 2016	Geometry optimization Minimum	DFT	TZP; DZP	-23.44427102; Eh
27-Oct-2017	/DFT/Water 3_2_2	Bandeira, Nuno	ADF; 2016	Geometry optimization Minimum	DFT	TZP; DZP	-46.27586050; Eh
27-Oct-2017	/DFT/Methanol 3	Bandeira, Nuno	ADF; 2016	Geometry optimization Minimum	DFT	TZP; DZP	-23.72240129; Eh
27-Oct-2017	/DFT/Methanol 3_2_1	Bandeira, Nuno	ADF; 2016	Geometry optimization Minimum	DFT	TZP; DZP	-23.71919655; Eh
27-Oct-2017	/DFT/Water 3_4_2	Bandeira, Nuno	ADF; 2016	Geometry optimization Minimum	DFT	TZP; DZP	-23.01897271; Eh

Results 1-9 of 9 (Search time: 0.001 seconds).