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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2026	re-bpy-co3-COO-2e_M1-teoa-co2-adduct-zwitt	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1621.62996654; Eh
	8-May-2026	re-bpy-co3-COOHdown-2e_M1	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1103.97811191; Eh
	8-May-2026	re-bpy-co3-COOHup-2e_M1	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1103.98124425; Eh
	8-May-2026	re-bpy-co3-COOHdown-3e_M2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1104.08223372; Eh
	8-May-2026	re-bpy-co3-COOHup-3e_M2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1104.08220615; Eh
	8-May-2026	re-bpy-co3-COO-2e_M1	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1103.47547420; Eh
	8-May-2026	re-bpy-co3-COO-1e_M2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1103.35783405; Eh
	8-May-2026	re-bpy-co3-vac-1e_M2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-914.760695964; Eh
	8-May-2026	re-bpy-co3-vac_M1	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-914.631590919; Eh
	8-May-2026	re-bpy-co3-vac-2e_M1	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-914.870441644; Eh

Results 2411-2420 of 2450 (Search time: 0.002 seconds).