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Collection hits:

Collection Name
Cation_CuCOR

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsTaW As01Ta02W09O39-0H-iso-484	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.96946560; Eh
	8-Sep-2026	/substrate-assisted pathway INT8-b	Wang, Yingying; Bo, Carles; Hugo, Salazar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1320.01221555; Eh
	8-Sep-2026	/Two-TBD INT6-a	Wang, Yingying; Bo, Carles; Hugo, Salazar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1758.84428094; Eh
	8-Sep-2026	/Two-TBD INT4a	Wang, Yingying; Bo, Carles; Hugo, Salazar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1758.85310688; Eh
	8-Sep-2026	/Two-TBD INT7-a	Wang, Yingying; Bo, Carles; Hugo, Salazar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1758.83919752; Eh
	8-Sep-2026	/one TBD INT3	Wang, Yingying; Bo, Carles; Hugo, Salazar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1320.00087233; Eh
	8-Sep-2026	/one TBD TS2	Wang, Yingying; Bo, Carles; Hugo, Salazar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1319.98718370; Eh
	8-Sep-2026	/one TBD TS4	Wang, Yingying; Bo, Carles; Hugo, Salazar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1319.97709739; Eh
	9-Sep-2026	/Cu_100/cation/OH_fcc_i/K K	DÃaz LÃ³pez, EstefanÃa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-396.07702991; eV

Results 104361-104370 of 104408 (Search time: 0.063 seconds).