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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	H2-MoS42-	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-1661.89161411; Eh
	27-Mar-2026	II	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2994.09157477; Eh
	27-Mar-2026	I-2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2884.68423115; Eh
	27-Mar-2026	I	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-2884.68866028; Eh
	27-Mar-2026	H2-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-31G* GEN*	-1.16198557154; Eh
	27-Mar-2026	H2O	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-31G* GEN*	-76.3315314296; Eh
	27-Mar-2026	III-h2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-3071.61283445; Eh
	27-Mar-2026	II-MoS42-acn	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-1880.67454474; Eh
	27-Mar-2026	II-MoSH2S2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-1881.58456286; Eh
	27-Mar-2026	I-MoS42-acn	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	SDD 6-31G* GENECP*	-1771.28989828; Eh

Results 2591-2600 of 2835 (Search time: 0.001 seconds).