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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Mar-2026	IV-a	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2885.82583963; Eh
	27-Mar-2026	IX	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2830.59201531; Eh
	27-Mar-2026	IV	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2885.85861166; Eh
	27-Mar-2026	IX-a-N2-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-3017.51046540; Eh
	27-Mar-2026	IX-a-N2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2941.15722589; Eh
	27-Mar-2026	TS2-2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UPBEPBE	SDD 6-31G* GENECP*	-2885.79876787; Eh
	27-Mar-2026	TS3	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2995.22019505; Eh
	27-Mar-2026	TS2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2995.24305002; Eh
	27-Mar-2026	TS0	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2775.26578327; Eh
	27-Mar-2026	NH3-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-31G* GEN*	-56.4845445506; Eh

Results 2611-2620 of 2835 (Search time: 0.001 seconds).