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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Apr-2026	V-Co	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UPBEPBE	SDD 6-31G* GENECP*	-2907.76399735; Eh
	9-Apr-2026	V-Ru	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2856.88385516; Eh
	9-Apr-2026	TS2-2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UPBEPBE	SDD 6-31G* GENECP*	-2885.79876787; Eh
	9-Apr-2026	VI-a-N2-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-3072.78531732; Eh
	9-Apr-2026	3FeMo-H2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UPBEPBE	SDD 6-31G* GENECP*	-2775.26003195; Eh
	9-Apr-2026	III-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-3071.61283445; Eh
	9-Apr-2026	TS7-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2906.90494667; Eh
	9-Apr-2026	VII-Co	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UPBEPBE	SDD 6-31G* GENECP*	-2852.46726622; Eh
	9-Apr-2026	FeMo	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2774.13422862; Eh
	9-Apr-2026	TS8-a	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2831.71723808; Eh

Results 2701-2710 of 2835 (Search time: 0.002 seconds).