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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2026	adduct_teoa_bi-rad	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-1208.33846070; Eh
	8-May-2026	bih_cat-rad	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-690.676649563; Eh
	8-May-2026	bi_cat	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-690.116303035; Eh
	8-May-2026	bi_rad	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-690.211678501; Eh
	8-May-2026	bih	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-690.840647220; Eh
	8-May-2026	Mo6-2e_M1_TDDFT	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	td; ub3lyp	LANL2DZ CC-PVDZ GEN	-1836.2211477; Eh
	8-May-2026	mo6-2e_M3	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	ub3lyp	LANL2DZ CC-PVDZ GEN	-1836.22152415; Eh
	8-May-2026	hteoa-coo_zwitter	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-706.741539474; Eh
	8-May-2026	mo6-1e	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1836.09910711; Eh
	8-May-2026	hteoa	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-518.588696079; Eh

Results 7181-7190 of 103529 (Search time: 0.007 seconds).