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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	TS9-a-N2-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-3017.50365066; Eh
	27-Mar-2026	TS8-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2906.91423055; Eh
	27-Mar-2026	V-H2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2886.98841073; Eh
	27-Mar-2026	V-cis	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2885.84497827; Eh
	27-Mar-2026	V-Co	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UPBEPBE	SDD 6-31G* GENECP*	-2907.76399735; Eh
	27-Mar-2026	V-a	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2885.85901640; Eh
	27-Mar-2026	TS9-a	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2831.71967660; Eh
	27-Mar-2026	TS9	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	SDD 6-31G* GENECP*	-2831.73682983; Eh
	27-Mar-2026	V	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2885.85791472; Eh
	27-Mar-2026	VI-a-N2-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-3072.78531732; Eh

Results 2651-2660 of 2835 (Search time: 0.001 seconds).