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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2026	ru-dmbpy-Mo6-3e_M2_TDDFT	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	td; b3lyp	LANL2DZ CC-PVDZ GEN	-3652.5273203; Eh
	8-May-2026	ru-dmbpy-Mo6-3e_M2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-3652.52732025; Eh
	8-May-2026	ru-dmbpy-Mo6-2e_M3	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	b3lyp	LANL2DZ CC-PVDZ	-3652.39197507; Eh
	8-May-2026	teoa_deprot_conf2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-517.605439888; Eh
	8-May-2026	teoa-coo_anion	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-706.251124721; Eh
	8-May-2026	teoa_cat-rad	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-517.916657030; Eh
	8-May-2026	teoa_rad_O	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-517.462003054; Eh
	8-May-2026	teoa_rad	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-517.454958963; Eh
	8-May-2026	teoa_cat	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-517.340755118; Eh
	8-May-2026	ts-hat_teoa-bi-rad_O_2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	-	CC-PVDZ GEN	-1208.30255349; Eh

Results 7231-7240 of 103542 (Search time: 0.007 seconds).