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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2026	cl	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	b3lyp	CC-PVDZ GEN	-460.382951705; Eh
	8-May-2026	re-bpy-co3-COO-1e_M2-teoa-co2-adduct-zwitt	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1621.54955011; Eh
	8-May-2026	re-bpy-co3-cl-2e_M1	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1375.24883995; Eh
	8-May-2026	re-bpy-co3-cl-1e_M2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1375.17355198; Eh
	8-May-2026	re-bpy-co3-CO-2e_M1	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1028.20474160; Eh
	8-May-2026	re-bpy-co3-CO-1e_M2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1028.11577019; Eh
	8-May-2026	re-bpy-co3-CO_M1	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1027.99952332; Eh
	8-May-2026	re-bpy-co3-cl	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1375.06805419; Eh
	8-May-2026	mo6-2e	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	ub3lyp	LANL2DZ CC-PVDZ GEN	-1836.22114771; Eh
	8-May-2026	mo6	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1835.94620188; Eh

Results 2401-2410 of 2450 (Search time: 0.002 seconds).